data_2yru_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 2yru _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mt -136.06 148.34 48.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.4 tt -56.83 -44.23 81.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.97 -7.71 48.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.33 -32.08 15.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.543 HG22 ' CH2' ' A' ' 52' ' ' TRP . 40.6 t -92.9 -18.64 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -91.07 -39.27 12.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.492 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -40.41 -51.89 6.21 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.3 Cg_endo -75.03 -58.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.468 HD11 ' CE ' ' A' ' 65' ' ' MET . 12.4 mt -44.58 -33.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' LEU . 24.6 mt-10 -82.02 -43.24 18.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -55.65 -27.28 48.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.465 ' HB2' ' CD ' ' A' ' 109' ' ' LYS . . . -73.3 -55.72 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.452 HD23 ' CB ' ' A' ' 42' ' ' SER . 29.7 tp -40.25 -66.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -39.68 -43.31 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -49.81 76.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' LEU . 67.3 m -64.66 -45.66 85.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 108.324 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -43.95 -36.0 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 32' ' ' HIS . . . -104.06 43.2 1.72 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.503 ' CG ' HD21 ' A' ' 112' ' ' LEU . 21.9 m-70 -168.8 -67.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.59 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.9 m -69.52 157.69 36.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.11 154.86 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -24.95 61.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -77.31 -49.98 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.0 t -63.26 -42.8 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.5 t -66.62 -42.1 87.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 108.292 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -57.76 -41.61 82.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -59.28 -55.6 32.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.3 mt -50.89 -62.03 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.452 ' CB ' HD23 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -40.73 -59.11 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.58 -43.56 5.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 40.8 mmt-85 -64.42 -40.91 96.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.8 mt -55.0 -56.09 23.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.04 -43.0 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.441 ' CD1' ' O ' ' A' ' 97' ' ' GLN . 1.2 tt -66.3 -55.69 14.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.445 HD11 ' CZ2' ' A' ' 98' ' ' TRP . 17.7 tp -41.56 -55.65 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -57.23 -53.95 52.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' GLY . 46.3 mm-40 -52.55 -53.14 50.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -63.71 -36.34 83.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.6 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.1 t90 -66.52 -64.15 0.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 108.026 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -56.81 -57.68 11.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.95 -43.93 0.92 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.44 19.98 10.02 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.59 -10.84 58.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.463 HD13 ' CA ' ' A' ' 52' ' ' TRP . 54.4 mt -94.56 150.96 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.544 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -84.84 159.23 20.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.017 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.6 mt -62.3 -44.8 89.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.06 -5.17 16.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.54 ' CG2' ' ND1' ' A' ' 91' ' ' HIS . 2.2 t -90.69 -17.7 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.6 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -94.06 -50.41 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -29.96 59.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -75.62 -42.26 52.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.468 ' CE ' HD11 ' A' ' 22' ' ' LEU . 20.0 mmm -57.81 -57.08 14.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.47 -41.95 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mt -51.17 -65.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.45 ' CD1' ' HB2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -48.44 -42.31 31.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.453 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 54.2 t -60.49 -63.59 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -39.46 -41.33 0.96 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.468 ' CG ' ' HB3' ' A' ' 79' ' ' ALA . 9.6 mm-40 -66.64 -54.22 25.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tt -50.02 -29.01 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.17 -47.08 63.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.465 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 1.5 m170 -78.15 -1.95 35.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.581 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.495 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 4.3 m170 84.71 0.13 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 0.0 109.602 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -67.66 67.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.1 m95 -60.53 -44.57 95.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 107.992 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.79 -40.33 28.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HB3' ' CG ' ' A' ' 71' ' ' GLU . . . -73.09 -50.28 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.68 -54.11 3.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -60.0 -38.97 84.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 79' ' ' ALA . 4.1 t0 -54.4 -64.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.5 mt -57.64 -40.27 74.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.45 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -58.02 -38.13 75.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.9 mmt85 -66.71 -50.5 62.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.2 p -52.06 -35.67 48.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.447 ' CD2' ' HB2' ' A' ' 91' ' ' HIS . 5.2 mt -73.39 -40.02 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -8.91 49.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 71.4 t -79.34 -60.54 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -95.69 -69.29 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.54 ' ND1' ' CG2' ' A' ' 61' ' ' VAL . 25.1 m-70 -77.63 62.4 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.612 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.65 -44.73 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.62 -47.74 58.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.387 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.404 ' OE2' ' OG ' ' A' ' 58' ' ' SER . 15.7 mt-10 -47.58 -56.39 7.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 17.3 m -63.55 -34.01 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 p -51.57 172.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.441 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 2.7 mt-30 73.47 3.58 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.567 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.4 p-90 -168.73 -43.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.42 ' CE ' ' HB ' ' A' ' 95' ' ' VAL . 31.8 tpp -36.78 -51.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.459 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 30.4 m -39.62 -45.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.19 -53.43 44.79 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.2 t -57.09 -53.06 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -40.14 -41.99 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 0.3 OUTLIER -73.55 -50.42 21.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.465 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -43.18 -57.69 2.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.1 mt -41.04 -68.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.07 -54.09 4.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -51.19 -68.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.339 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.465 ' CD ' ' HB2' ' A' ' 25' ' ' ALA . 2.0 mmmt -43.32 -47.57 6.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -54.93 -58.23 8.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.58 -54.87 7.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.503 HD21 ' CG ' ' A' ' 32' ' ' HIS . 1.2 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.0 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.8 mt -114.13 150.25 34.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.8 tt -59.08 -42.01 85.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.94 -6.9 48.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.6 -29.2 15.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.568 HG22 ' CZ2' ' A' ' 52' ' ' TRP . 44.8 t -93.7 -20.5 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.57 -34.58 13.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.509 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 1.6 mmt180 -44.74 -50.97 23.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.3 Cg_endo -75.01 -52.33 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.7 mt -45.9 -38.29 7.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -71.11 -49.62 42.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -46.45 -44.12 17.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.483 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -64.28 -47.49 79.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 42' ' ' SER . 29.1 tp -50.02 -69.02 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -47.56 -48.97 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.87 -27.17 66.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' ALA . 1.3 m -81.32 -42.78 20.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -45.16 -42.69 9.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.65 -44.8 56.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.637 ' CD2' ' CD2' ' A' ' 112' ' ' LEU . 65.0 m-70 -87.49 -86.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' CYS . 6.1 m -39.95 140.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.355 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.76 172.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -80.93 -54.26 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -48.62 -41.92 32.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.8 t -67.14 -57.14 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.44 -52.64 44.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 108.264 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -48.2 -39.97 22.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.85 -52.41 37.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.9 mt -55.28 -58.98 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.462 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -48.71 -40.83 29.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.051 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -35.43 66.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 18.4 mmt-85 -73.33 -47.57 41.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.9 mt -46.54 -52.15 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.57 -45.3 6.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 tt -69.2 -50.21 49.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.429 ' HB2' ' CE3' ' A' ' 98' ' ' TRP . 10.0 tp -47.99 -49.85 29.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 52' ' ' TRP . 6.5 ttp180 -62.65 -63.17 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -40.27 -55.54 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -58.25 -37.13 74.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.589 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.3 t-105 -65.01 -64.6 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 107.994 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -54.17 -59.85 4.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -37.95 -31.72 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 89.54 29.93 15.05 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -90.48 -21.34 21.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.426 ' CD1' ' HA ' ' A' ' 52' ' ' TRP . 75.2 mt -77.84 146.4 35.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.533 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -79.54 154.49 28.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 3.8 mt -59.07 -45.01 99.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -75.05 -4.3 15.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.645 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.2 t -90.93 -28.04 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.589 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 6.8 mttt -84.52 -40.12 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -38.16 87.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -70.22 -36.78 74.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -63.58 -57.69 9.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.983 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.76 -40.3 0.92 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.419 ' N ' HD22 ' A' ' 67' ' ' LEU . 5.7 mt -53.37 -64.59 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.438 ' CD1' ' HB2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -48.63 -43.59 36.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.458 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 44.0 t -58.94 -61.24 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -41.8 -40.36 2.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 0.0 110.338 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.462 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 8.3 mm-40 -67.26 -53.1 33.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tt -52.87 -25.99 13.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 21' ' ' PRO . 82.6 mt -72.05 -41.01 67.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.497 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 1.1 m170 -85.42 -2.1 57.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.608 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.499 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.8 m170 86.95 -1.25 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.607 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -67.11 70.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.267 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.499 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -63.96 -43.61 95.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.026 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -37.91 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.462 ' HB1' ' CG ' ' A' ' 71' ' ' GLU . . . -75.78 -50.19 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.51 -54.17 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.74 -53.76 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -40.34 -58.98 1.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.9 mt -63.11 -52.27 61.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.557 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -43.2 -50.08 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.576 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -57.73 -54.38 47.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.7 m -53.39 -26.35 19.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 mt -82.3 -36.41 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.447 ' O ' ' CG ' ' A' ' 88' ' ' MET . 11.8 ttm -81.4 -9.93 59.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 79.7 t -77.34 -53.16 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -95.53 -68.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.645 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 31.5 m-70 -76.76 60.0 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.56 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' A' ' 96' ' ' SER . 3.1 p -82.42 -47.37 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.442 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -66.57 -16.08 63.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.407 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -90.31 -61.61 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.56 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 26.1 m -58.73 -38.35 71.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 58.8 p -51.66 161.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 96' ' ' SER . 4.7 tt0 85.9 1.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.56 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.6 p-90 -166.45 -43.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 107.986 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 98' ' ' TRP . 0.4 OUTLIER -35.34 -43.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.45 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 28.6 m -43.49 -48.57 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.55 -59.49 10.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.128 . . . . 0.0 110.973 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 79.7 t -43.17 -50.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -47.26 -54.71 10.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -59.0 -52.64 64.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.483 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.8 OUTLIER -42.43 -51.38 4.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 27.9 mt -49.8 -66.55 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -42.86 -62.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -49.19 -61.15 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.461 ' HA ' ' CD1' ' A' ' 112' ' ' LEU . 25.2 mmmt -42.99 -47.25 5.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -59.45 -47.09 86.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.85 -55.0 5.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.637 ' CD2' ' CD2' ' A' ' 32' ' ' HIS . 1.4 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.477 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 1.3 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mt -103.95 143.48 32.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.56 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 19.9 tt -53.35 -50.27 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 63.3 mt-10 -61.25 -26.89 68.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.349 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.28 -26.67 60.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.572 HG21 ' CH2' ' A' ' 52' ' ' TRP . 91.5 t -94.93 -19.78 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.52 -33.17 14.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.508 ' CD ' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -45.72 -51.52 28.86 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.4 Cg_endo -75.02 -53.97 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.475 HD13 ' CD2' ' A' ' 48' ' ' LEU . 18.5 mt -45.41 -37.93 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -74.28 -44.35 53.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -50.74 -41.68 56.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.469 ' CB ' ' HD3' ' A' ' 109' ' ' LYS . . . -63.23 -48.89 76.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.408 ' CD2' ' HB3' ' A' ' 42' ' ' SER . 16.0 tp -48.02 -51.41 24.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.87 -47.12 8.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 32' ' ' HIS . 27.1 m-20 -64.82 -52.62 55.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.447 ' SG ' ' CG2' ' A' ' 33' ' ' THR . 2.1 t -53.81 -36.69 62.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 108.255 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -25.11 64.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.611 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.04 26.91 7.67 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' ASP . 85.5 m-70 -153.01 -78.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.648 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.447 ' CG2' ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -59.47 156.34 13.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -50.87 147.03 5.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -60.99 -46.88 88.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -46.37 -55.28 7.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.9 t -58.99 -40.72 81.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.1 t -59.11 -58.7 7.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.3 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -51.2 -25.73 5.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -81.08 -58.99 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.5 mt -46.92 -62.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.408 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 14.1 p -45.61 -52.42 10.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.54 -36.66 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.469 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 6.4 mmt180 -71.78 -49.15 41.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.1 mt -48.61 -53.26 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.95 -37.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.525 ' CD1' ' NE2' ' A' ' 97' ' ' GLN . 3.3 tt -78.99 -56.34 4.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.571 ' HB2' ' CE3' ' A' ' 98' ' ' TRP . 4.3 tp -42.13 -53.38 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -59.26 -58.17 9.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -47.11 -53.89 11.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.66 -36.94 74.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.59 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.3 t-105 -63.71 -61.96 1.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 108.001 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -57.51 -59.85 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.57 -32.23 0.05 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 88.78 29.44 18.37 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.404 ' O ' ' OE2' ' A' ' 94' ' ' GLU . 1.8 mmmt -87.68 -27.47 22.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.401 HD13 ' CA ' ' A' ' 52' ' ' TRP . 55.6 mt -73.03 159.43 33.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.552 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -91.9 153.56 19.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.2 mt -56.94 -45.08 99.99 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.0 -3.79 14.44 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.534 1.807 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.633 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 1.5 t -91.34 -30.43 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.59 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 4.4 mttp -81.56 -39.76 24.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -39.78 94.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -70.0 -30.5 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -67.08 -61.54 1.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.75 -41.25 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.1 mt -52.45 -65.5 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 84' ' ' HIS . 0.7 OUTLIER -48.05 -45.54 32.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.472 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 43.8 t -58.4 -62.39 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -39.23 -41.99 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 9.7 mm-40 -65.57 -54.82 22.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 tt -50.21 -30.37 11.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' A' ' 21' ' ' PRO . 92.3 mt -68.99 -45.22 71.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.456 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 8.3 m170 -79.98 -2.02 42.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.625 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.497 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.4 m170 85.08 -0.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.578 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -67.87 66.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.497 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -59.74 -44.57 93.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 107.988 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.68 -44.77 38.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.467 ' HB2' ' CG ' ' A' ' 71' ' ' GLU . . . -67.15 -52.06 46.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.33 -54.26 3.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.58 -58.78 5.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.74 -65.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.4 HD11 ' N ' ' A' ' 68' ' ' LEU . 11.6 mt -52.4 -51.49 32.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.465 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -42.36 -58.65 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 89' ' ' VAL . 21.1 mmt85 -48.9 -55.95 10.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.9 m -41.85 -42.68 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.027 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 mt -71.7 -46.24 59.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.437 ' HG3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -67.91 -8.42 36.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 85' ' ' ARG . 76.5 t -81.15 -59.17 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -95.57 -69.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.633 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 19.4 m-70 -77.64 62.03 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.58 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 93' ' ' THR . 4.9 p -85.7 -51.05 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.462 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -64.64 -26.67 68.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 56' ' ' LYS . 5.1 mm-40 -74.84 -50.54 16.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 23.6 m -70.39 -29.97 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.8 p -53.54 171.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.525 ' NE2' ' CD1' ' A' ' 47' ' ' LEU . 0.3 OUTLIER 76.36 -0.23 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.571 ' CE3' ' HB2' ' A' ' 48' ' ' LEU . 67.8 p-90 -164.0 -44.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.05 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.495 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -35.19 -35.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 31.1 m -51.57 -51.64 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -54.62 -60.57 8.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 95.0 t -48.39 -56.31 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.767 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -40.38 -54.93 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -46.36 85.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.465 HD22 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -43.64 -54.4 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 26.2 mt -45.73 -61.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -46.22 -56.54 5.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -49.7 -65.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.469 ' HD3' ' CB ' ' A' ' 25' ' ' ALA . 7.0 mmmt -42.33 -53.13 4.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -57.83 -48.49 79.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.59 -55.65 15.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.973 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.3 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.468 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 1.1 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mt -100.73 146.52 27.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.519 HD12 ' CD1' ' A' ' 52' ' ' TRP . 15.9 tt -58.91 -55.21 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -54.07 -31.07 50.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -30.18 66.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.504 HG22 ' CH2' ' A' ' 52' ' ' TRP . 59.3 t -91.8 -19.04 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -89.98 -39.5 12.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -37.83 -52.79 2.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.3 Cg_endo -74.96 -58.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' A' ' 48' ' ' LEU . 10.7 mt -45.17 -26.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' LEU . 11.2 mt-10 -88.9 -45.36 9.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -60.14 -37.63 80.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.19 82.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' CYS . 28.2 tp -54.29 -63.46 1.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.9 mt-10 -37.67 -33.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -72.08 -54.64 9.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' LEU . 13.9 p -58.56 -39.24 79.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 108.323 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -54.37 -35.96 63.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.615 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.55 32.54 6.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.465 ' CB ' HD21 ' A' ' 112' ' ' LEU . 23.5 m-70 -159.15 -74.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.566 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.1 m -62.21 156.72 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -51.04 151.72 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -50.71 63.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.13 -43.5 7.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.97 -56.17 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.2 t -52.26 -53.6 41.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.286 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -21.98 4.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -85.33 -56.66 3.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.7 mt -53.37 -51.63 39.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.4 p -51.58 -48.8 63.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.032 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.71 -30.56 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.448 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 2.6 mmt180 -78.48 -46.77 18.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.5 mt -50.46 -49.94 53.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.69 -37.44 41.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.401 ' CD2' ' HG3' ' A' ' 51' ' ' GLN . 2.4 tt -75.86 -49.59 17.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.551 HD23 ' CZ3' ' A' ' 98' ' ' TRP . 1.3 tp -47.35 -59.28 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' TRP . 1.7 ttt180 -55.14 -64.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -40.28 -50.71 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 1.1 mt-30 -64.02 -38.18 90.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.353 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.587 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 1.9 t90 -64.25 -61.2 2.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 108.006 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.99 -56.56 20.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.56 -32.37 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.28 16.56 43.19 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.39 -18.32 49.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.5 mt -85.11 144.03 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.509 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -75.18 160.7 30.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 3.5 mt -67.61 -44.55 44.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.01 -5.58 16.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.637 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.4 t -89.82 -19.59 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.587 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -93.74 -46.22 7.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.472 ' CE ' HG23 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -55.87 -32.89 64.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.451 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -76.44 -40.43 50.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.433 ' CE ' HD12 ' A' ' 22' ' ' LEU . 25.1 mmm -56.05 -58.8 6.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.36 -45.48 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.9 mt -53.56 -69.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.515 ' C ' ' CD2' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -42.06 -41.51 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 67.6 t -63.65 -53.11 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -50.31 -26.25 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 76' ' ' GLN . 6.3 mm-40 -80.32 -40.02 27.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.96 -19.63 65.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.1 mt -79.45 -42.96 24.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.537 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 14.3 m-70 -80.64 -1.86 44.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.537 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 2.7 m170 89.9 -7.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' GLU . 22.1 mm-40 -64.62 84.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.488 ' CE2' ' O ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER -79.37 -34.85 41.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 108.051 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -47.91 84.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 82' ' ' ASP . . . -61.43 -54.18 46.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.07 -47.75 33.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -62.18 -28.06 69.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 79' ' ' ALA . 5.0 t0 -70.77 -47.43 59.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.8 mt -70.94 -42.2 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.571 ' CE1' ' HD2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -49.64 -61.67 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.606 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -46.69 -57.49 4.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.4 p -48.77 -27.08 2.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' A' ' 64' ' ' ARG . 6.3 mt -83.86 -34.18 24.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.459 ' O ' ' CG ' ' A' ' 88' ' ' MET . 12.2 ttm -84.9 -9.96 57.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' ARG . 59.8 t -77.85 -52.41 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -95.29 -69.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.637 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 41.4 m-70 -76.57 60.67 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.473 ' O ' ' CB ' ' A' ' 96' ' ' SER . 2.7 p -83.21 -47.56 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.451 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -65.16 -11.18 37.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.392 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -95.63 -61.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.535 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 27.0 m -60.22 -35.93 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 63.6 p -52.48 160.45 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.492 ' CB ' ' O ' ' A' ' 96' ' ' SER . 4.1 tt0 85.64 4.8 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.551 ' CZ3' HD23 ' A' ' 48' ' ' LEU . 67.6 p-90 -169.68 -43.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 107.972 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.433 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -36.47 -36.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.448 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 30.5 m -49.38 -49.77 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -56.5 -61.5 7.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 92.4 t -45.58 -51.09 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 0.757 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 84' ' ' HIS . 11.6 tttm -48.23 -42.1 29.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.3 tpp85 -73.94 -52.04 14.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.38 -53.11 3.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.8 mt -48.14 -58.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.65 -48.81 63.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -56.95 -58.61 7.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.442 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 15.7 mmmt -45.22 -59.97 2.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.467 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 15.7 tttp -48.89 -48.77 42.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.76 -47.21 67.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.465 HD21 ' CB ' ' A' ' 32' ' ' HIS . 92.1 mt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.416 ' HB ' ' NZ ' ' A' ' 63' ' ' LYS . 24.1 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mt -107.33 130.17 54.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.528 HD12 ' CD1' ' A' ' 52' ' ' TRP . 17.8 tt -47.19 -54.34 2.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -51.16 -36.63 42.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.81 -26.62 62.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.575 HG23 ' CH2' ' A' ' 52' ' ' TRP . 50.4 t -88.35 -23.7 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' ILE . 0.7 OUTLIER -89.68 -38.15 14.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -38.26 -52.6 3.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.4 Cg_endo -75.01 -59.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.473 ' CD1' HD23 ' A' ' 48' ' ' LEU . 15.8 mt -44.52 -27.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 21' ' ' PRO . 16.3 mt-10 -88.87 -40.1 13.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' PRO . 5.2 pt20 -65.89 -28.91 69.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.435 ' HB2' ' CD ' ' A' ' 109' ' ' LYS . . . -71.72 -42.79 66.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.4 tp -52.69 -52.87 54.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -40.16 -44.21 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -50.91 72.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.3 -49.6 75.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 108.348 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -48.13 -32.48 6.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.645 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.46 48.02 0.98 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.472 ' CB ' HD21 ' A' ' 112' ' ' LEU . 8.9 t60 -170.94 -71.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.735 . . . . 0.0 109.616 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.97 151.99 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.362 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -40.64 159.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -49.0 20.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -45.15 -40.01 6.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 41' ' ' ILE . 76.9 t -67.39 -56.05 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 23.6 t -47.7 -59.91 2.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 108.329 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -47.23 -33.06 5.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.85 -67.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.459 HD11 ' CG1' ' A' ' 37' ' ' VAL . 8.8 mt -44.7 -54.61 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.2 p -49.23 -49.67 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.97 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -27.39 6.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.407 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 4.5 mmt180 -79.39 -47.2 16.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.2 mt -52.33 -52.14 54.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.72 -41.58 15.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tt -72.74 -50.9 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.473 HD23 ' CD1' ' A' ' 22' ' ' LEU . 4.1 tp -43.99 -56.5 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -52.53 65.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.92 -52.31 43.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -38.48 91.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.593 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 1.9 t90 -65.68 -67.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.33 -57.91 5.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.94 -25.28 0.92 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.8 13.42 69.68 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -69.53 -11.97 61.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 0.73 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.483 ' CD1' ' HA ' ' A' ' 52' ' ' TRP . 53.4 mt -91.83 157.51 16.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.548 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.3 m -89.06 162.9 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.027 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.6 mt -61.89 -45.92 92.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.98 -3.21 13.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.522 HG22 ' CG ' ' A' ' 91' ' ' HIS . 5.1 t -91.14 -29.55 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.593 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 4.8 mttt -83.79 -38.84 20.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.416 ' NZ ' ' HB ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -64.02 -38.7 92.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.441 ' O ' ' CG2' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -75.12 -21.74 58.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.459 ' HE3' ' CD1' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -74.97 -55.39 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.18 -36.85 52.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.1 mt -56.02 -65.41 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -46.43 -41.04 13.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 65.7 t -62.22 -58.15 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -44.78 -36.93 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.475 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 9.1 mm-40 -68.89 -50.63 47.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 tt -54.32 -24.19 18.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.5 mt -73.81 -45.87 48.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.546 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 11.1 m-70 -77.85 -2.06 34.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.634 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.546 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 2.4 m170 89.39 -7.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.622 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -64.36 84.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.525 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -79.72 -29.17 40.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 107.964 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.66 -31.21 72.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.475 ' HB2' ' CG ' ' A' ' 71' ' ' GLU . . . -79.79 -49.99 11.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.26 -40.56 16.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -69.13 -54.7 13.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.97 -51.6 5.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.441 ' CG2' ' O ' ' A' ' 64' ' ' ARG . 12.8 mt -65.2 -50.62 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.585 ' CD2' ' SD ' ' A' ' 99' ' ' MET . 0.2 OUTLIER -47.43 -45.45 25.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.623 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -59.42 -60.26 4.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.8 p -46.17 -30.89 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.2 mt -76.69 -46.05 27.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.414 ' CG ' ' HG2' ' A' ' 99' ' ' MET . 67.1 mmm -69.87 -8.77 51.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 69.8 t -82.8 -56.57 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -95.04 -70.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.522 ' CG ' HG22 ' A' ' 61' ' ' VAL . 6.6 m-70 -77.17 61.83 2.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.597 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.523 ' O ' ' CB ' ' A' ' 96' ' ' SER . 9.7 p -84.79 -53.19 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.464 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 33.5 p -61.87 -12.04 15.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -94.77 -61.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.571 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 10.3 m -63.28 -26.53 41.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 58.1 p -61.44 162.25 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.8 tt0 84.83 -0.11 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.571 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.6 p-90 -163.43 -45.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 107.96 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.585 ' SD ' ' CD2' ' A' ' 84' ' ' HIS . 29.3 tpp -36.57 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 98' ' ' TRP . 35.3 m -53.37 -50.87 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -55.6 -58.64 13.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 83.6 t -43.26 -52.0 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.2 -49.29 23.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -65.38 -55.14 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.36 -49.22 3.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.3 mt -50.19 -66.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.22 -49.05 12.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -54.29 -67.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.435 ' CD ' ' HB2' ' A' ' 25' ' ' ALA . 18.5 mmmt -40.83 -54.09 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.525 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 3.5 tttm -48.57 -48.48 38.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.36 -57.46 11.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' A' ' 32' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mt -97.24 141.1 30.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.408 HD13 ' CD1' ' A' ' 52' ' ' TRP . 14.2 tt -61.45 -34.24 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.41 -8.14 55.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.89 -25.73 15.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.525 ' CG2' ' CH2' ' A' ' 52' ' ' TRP . 97.9 t -95.26 -19.94 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -93.08 -36.49 12.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -45.41 -50.77 29.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.4 Cg_endo -74.99 -50.03 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.541 1.811 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 48' ' ' LEU . 11.6 mt -49.61 -43.41 46.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.19 -49.03 47.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.419 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 20.7 mm-40 -47.27 -41.68 19.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.285 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.459 ' HB2' ' CD2' ' A' ' 105' ' ' LEU . . . -62.65 -49.41 75.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.447 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 13.0 tp -49.65 -33.44 15.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.53 -29.36 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.446 ' HB3' ' CD1' ' A' ' 112' ' ' LEU . 4.6 m-20 -75.14 -31.23 61.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' THR . 13.5 p -87.13 -38.91 16.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 108.29 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.416 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.6 OUTLIER -53.13 -33.41 52.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.7 34.55 5.68 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -159.36 -67.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 0.0 109.615 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' CYS . 2.9 m -65.0 153.9 39.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -53.37 132.69 39.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.57 -36.09 4.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -59.07 -70.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.7 t -48.29 -28.86 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 9.3 t -71.03 -48.28 53.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 108.315 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -61.58 -24.87 66.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -76.48 -49.23 17.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.32 -55.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.365 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 43' ' ' ARG . 20.8 p -45.34 -57.47 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -38.3 -35.91 0.2 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.458 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 4.1 mmt180 -71.62 -56.47 5.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 mt -47.62 -49.78 26.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.75 -34.76 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' A' ' 97' ' ' GLN . 3.4 tt -82.7 -59.2 2.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.504 ' HB2' ' CE3' ' A' ' 98' ' ' TRP . 5.8 tp -39.7 -39.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -72.06 -63.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.255 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 54' ' ' GLY . 49.9 mt-10 -43.58 -48.09 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -37.41 87.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.649 ' CD1' ' NZ ' ' A' ' 62' ' ' LYS . 2.1 t90 -65.86 -65.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -55.37 -59.78 4.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.82 -35.02 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.4 19.71 34.6 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -83.9 -18.28 37.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.48 -178.7 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 0.7 OUTLIER -114.41 149.61 35.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.611 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.2 mt -56.95 -46.0 99.91 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.04 -6.87 18.57 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.465 1.771 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.551 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 1.5 t -89.38 -18.3 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.649 ' NZ ' ' CD1' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -94.51 -44.4 7.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.454 ' HE2' ' CG2' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.05 -34.82 68.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.408 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 1.1 mtt180 -78.79 -35.3 44.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -53.94 42.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.01 -41.94 36.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 42.4 mt -52.07 -67.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -44.73 -44.53 9.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.552 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 58.2 t -58.46 -56.19 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -47.91 -25.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' GLN . 5.2 mm-40 -81.63 -39.21 24.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.24 -21.46 66.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.0 mt -77.72 -40.82 39.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.562 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 8.6 m170 -84.06 -2.06 56.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.644 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.562 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 2.2 m170 86.61 -2.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' GLU . 10.0 mm100 -67.73 70.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.494 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -64.62 -47.46 78.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 107.979 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.1 -52.47 20.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.417 ' CB ' ' CD ' ' A' ' 71' ' ' GLU . . . -57.53 -54.76 43.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.13 -43.65 41.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.68 -40.1 96.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.84 -54.0 50.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.1 mt -61.85 -42.69 95.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -50.84 -44.61 59.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 88' ' ' MET . 15.4 mmt85 -63.67 -51.77 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.8 p -46.43 -37.24 7.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 64' ' ' ARG . 12.2 mt -73.78 -35.97 65.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.502 ' O ' ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -74.05 -9.03 58.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.5 t -78.77 -52.7 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.64 -69.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.551 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 4.0 m-70 -82.21 63.6 6.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.635 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 88' ' ' MET . 1.4 p -79.67 -39.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.89 -57.51 3.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -45.13 -55.82 5.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.578 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 18.1 m -60.05 -35.36 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.364 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.522 ' O ' ' CD1' ' A' ' 98' ' ' TRP . 0.7 OUTLIER -49.97 177.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.451 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 12.5 mt-30 69.04 3.46 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.578 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 67.3 p-90 -168.0 -43.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 108.015 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.525 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -35.77 -35.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 98' ' ' TRP . 27.3 m -55.65 -53.47 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -49.77 -57.04 10.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.452 HG23 ' CE3' ' A' ' 98' ' ' TRP . 94.8 t -44.15 -53.07 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 0.755 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -48.5 -41.67 30.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -71.4 -55.82 7.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.459 ' CD2' ' HB2' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -42.02 -52.16 4.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 39.6 mt -50.67 -63.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.1 -51.98 9.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -53.62 -61.9 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -45.9 -57.4 4.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -51.62 -54.27 29.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.07 -54.15 7.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.037 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 74.6 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 14' ' ' LEU . 2.7 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.408 ' N ' HG22 ' A' ' 13' ' ' THR . 3.5 mt -98.85 148.25 24.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.548 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 12.0 tt -65.88 -46.87 87.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -64.48 -11.24 31.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.66 -29.93 18.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.4 ' C ' ' HD2' ' A' ' 21' ' ' PRO . 86.5 t -96.35 -18.12 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.96 -37.42 12.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.505 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER -41.79 -51.42 9.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.4 Cg_endo -75.01 -53.56 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.464 HD11 ' CE ' ' A' ' 65' ' ' MET . 11.0 mt -44.72 -36.65 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -75.4 -46.38 33.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 2.2 mm-40 -47.49 -35.71 9.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.44 ' CB ' ' CD2' ' A' ' 105' ' ' LEU . . . -71.1 -50.48 33.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' CYS . 26.8 tp -47.79 -68.39 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -44.17 -48.35 9.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.438 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -57.23 -36.94 71.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' LEU . 6.2 m -75.31 -38.44 60.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.367 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -21.95 60.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.579 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.39 24.33 11.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.463 ' CB ' HD23 ' A' ' 112' ' ' LEU . 39.8 m-70 -152.52 -65.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.635 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.1 m -73.07 153.17 40.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.459 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 22.3 mtpp -40.48 159.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -76.31 -46.54 27.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -57.89 -38.89 76.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 34' ' ' LYS . 91.9 t -64.1 -49.0 83.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.05 -57.53 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 108.271 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.59 -38.0 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.37 -55.74 10.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.1 mt -55.93 -58.29 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.428 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 3.3 p -46.13 -50.32 15.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.71 -35.71 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -70.65 -54.27 12.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.0 mt -45.96 -52.55 11.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.14 -34.46 1.83 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' ARG . 3.7 tt -80.14 -55.0 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.431 ' CD2' HD13 ' A' ' 22' ' ' LEU . 8.1 tp -41.57 -60.28 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 64.0 ttt-85 -52.32 -61.74 2.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' GLY . 46.2 mt-10 -44.54 -44.52 8.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.407 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -70.17 -38.02 75.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.581 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 1.9 t90 -65.67 -60.9 2.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 108.018 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -61.78 -55.02 34.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.42 -32.53 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 96.23 17.29 34.89 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -84.34 -27.38 27.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.761 . . . . 0.0 109.245 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 52' ' ' TRP . 59.7 mt -74.19 144.18 44.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.512 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -80.06 162.26 24.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.974 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 3.9 mt -67.68 -44.72 44.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -74.98 -5.4 16.75 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.552 ' CG2' ' ND1' ' A' ' 91' ' ' HIS . 3.0 t -89.78 -19.73 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.581 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 1.0 OUTLIER -93.4 -46.66 7.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.478 ' CE ' HG23 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -54.84 -31.49 59.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -46.58 24.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.464 ' CE ' HD11 ' A' ' 22' ' ' LEU . 23.0 mmm -53.29 -58.33 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.4 -32.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.231 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.402 ' N ' ' C ' ' A' ' 65' ' ' MET . 8.8 mt -65.0 -61.36 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 84' ' ' HIS . 1.3 tt -48.19 -44.6 32.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.45 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 46.4 t -59.1 -62.83 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 69' ' ' VAL . 39.6 mm-40 -38.74 -40.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.467 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 10.6 mm-40 -66.85 -53.26 34.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 tt -50.96 -29.44 12.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.2 mt -68.87 -47.64 65.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.24 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.499 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -76.65 -2.15 31.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.573 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.516 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 3.1 m170 87.3 -4.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.589 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -65.01 77.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.547 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 0.9 OUTLIER -72.65 -33.84 66.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 107.973 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -35.25 74.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.467 ' HB1' ' CG ' ' A' ' 71' ' ' GLU . . . -77.23 -49.8 14.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.57 -54.18 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -59.36 -54.0 51.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -40.61 -64.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.42 HD12 ' N ' ' A' ' 68' ' ' LEU . 10.4 mt -52.95 -55.19 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.469 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -41.12 -56.49 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.582 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 88' ' ' MET . 20.3 mmt180 -48.62 -59.02 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.6 m -47.71 -35.88 10.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.009 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.6 mt -72.69 -32.77 66.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 85' ' ' ARG . 9.8 ttm -80.9 -8.57 59.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 45.6 t -75.63 -57.6 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -90.31 -52.52 4.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.552 ' ND1' ' CG2' ' A' ' 61' ' ' VAL . 3.6 m-70 -99.07 74.04 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.64 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 93' ' ' THR . 9.6 p -82.18 -53.96 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.477 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -63.72 -54.54 33.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -42.39 -50.24 5.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.568 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 5.7 m -73.76 -32.57 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 12.8 p -56.86 160.7 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.954 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 96' ' ' SER . 4.8 tt0 85.63 0.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.568 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.8 p-90 -164.88 -44.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 98' ' ' TRP . 30.9 tpp -36.96 -32.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 98' ' ' TRP . 32.9 m -55.08 -51.63 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -53.38 -58.0 13.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 94.1 t -44.45 -55.78 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -44.12 -48.2 9.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -65.03 -55.71 17.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.44 ' CD2' ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -43.24 -56.84 3.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.2 mt -44.69 -60.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.26 -49.91 65.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -53.46 -58.74 6.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -47.36 -50.99 20.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.547 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 27.2 tttm -52.2 -41.31 62.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -52.16 66.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.463 HD23 ' CB ' ' A' ' 32' ' ' HIS . 69.8 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.515 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 1.3 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -100.97 147.93 25.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.568 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 14.1 tt -63.34 -39.84 86.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -70.75 -6.43 37.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.36 -27.74 13.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.549 HG22 ' CH2' ' A' ' 52' ' ' TRP . 22.3 t -95.3 -22.46 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -89.93 -40.66 12.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.481 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -38.33 -52.82 3.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.3 Cg_endo -74.95 -55.05 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.418 HD11 ' CE ' ' A' ' 65' ' ' MET . 10.4 mt -45.72 -32.17 2.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 19' ' ' LEU . 9.6 mt-10 -84.14 -48.73 9.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.434 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -52.75 -26.19 13.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.464 ' HB2' ' CD ' ' A' ' 109' ' ' LYS . . . -74.1 -38.85 63.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' CYS . 7.4 tp -59.49 -54.87 41.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -45.94 -47.7 16.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -35.56 71.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' LEU . 11.3 m -75.46 -38.04 59.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 108.328 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -17.6 12.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.86 16.39 23.32 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.517 ' CG ' HD21 ' A' ' 112' ' ' LEU . 34.2 m-70 -149.8 -70.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.559 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.524 HG23 ' CG2' ' A' ' 37' ' ' VAL . 11.1 m -56.12 151.15 12.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -55.39 -176.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -83.7 -63.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -41.3 -52.83 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.524 ' CG2' HG23 ' A' ' 33' ' ' THR . 2.5 p -46.85 -62.73 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.422 ' C ' ' N ' ' A' ' 40' ' ' ASP . 47.0 t -50.12 -61.44 2.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.96 -29.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 38' ' ' CYS . 1.3 t70 -80.26 -60.39 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.9 mt -50.72 -52.57 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.254 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 45' ' ' LEU . 24.8 p -50.12 -56.39 11.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -40.72 -35.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -71.64 -48.62 46.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 42' ' ' SER . 8.5 mt -49.66 -55.19 14.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.39 -44.3 2.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tt -71.3 -51.99 21.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.573 HD13 ' CH2' ' A' ' 98' ' ' TRP . 28.7 tp -41.84 -54.69 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -61.37 -49.13 78.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 54' ' ' GLY . 25.2 mt-10 -53.0 -47.22 68.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -69.66 -36.71 76.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.594 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.3 t-105 -66.85 -63.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.018 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -60.91 -54.47 44.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.05 -37.49 0.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.63 25.93 10.34 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -94.15 -23.52 17.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.8 mt -71.89 158.3 36.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.527 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 9.6 p -96.91 155.97 16.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.6 mt -60.14 -45.04 97.82 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.0 -3.22 13.6 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.509 ' CG2' ' OG ' ' A' ' 58' ' ' SER . 2.0 t -92.03 -21.56 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.594 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 13.9 mttt -92.88 -42.16 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -35.68 78.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -72.88 -45.28 59.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.418 ' CE ' HD11 ' A' ' 22' ' ' LEU . 18.0 mmm -54.02 -58.52 7.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.54 -38.2 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.415 ' N ' HD23 ' A' ' 67' ' ' LEU . 7.7 mt -56.29 -64.41 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.77 -42.45 46.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.44 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 59.5 t -61.49 -56.5 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -45.85 -37.65 6.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.464 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 7.9 mm-40 -69.71 -51.44 34.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tt -52.37 -25.73 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.7 mt -71.44 -46.47 59.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.516 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 12.0 m170 -78.51 -1.8 35.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.649 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.516 ' CB ' ' O ' ' A' ' 74' ' ' HIS . 2.3 m170 88.59 -7.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -63.14 82.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.549 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 0.9 OUTLIER -76.75 -36.05 57.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -57.93 -34.27 69.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.464 ' HB1' ' CG ' ' A' ' 71' ' ' GLU . . . -76.91 -49.84 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -45.36 -49.11 13.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.12 -44.49 95.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -50.45 -55.81 14.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.3 mt -64.3 -47.9 87.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.43 -38.81 20.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.622 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 88' ' ' MET . 21.3 mmt85 -67.56 -56.1 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.8 p -46.48 -34.21 4.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.08 -39.96 65.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 85' ' ' ARG . 94.1 mmm -69.1 -8.68 47.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 72.5 t -78.73 -61.46 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -95.74 -69.88 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.504 ' CG ' HG23 ' A' ' 61' ' ' VAL . 34.9 m-70 -74.73 61.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.627 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 93' ' ' THR . 4.4 p -88.55 -50.02 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.464 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 1.0 OUTLIER -70.15 -9.85 56.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.42 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -89.13 -59.1 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 11.0 m -65.34 -32.43 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.6 p -50.78 170.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 77.11 -0.2 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.574 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 69.0 p-90 -164.8 -44.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.0 tpp -37.79 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 98' ' ' TRP . 25.8 m -56.75 -48.39 81.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.54 -61.94 6.9 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 74.3 t -45.13 -47.55 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 0.728 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.02 -56.31 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -60.87 -50.22 74.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.441 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -42.01 -51.75 4.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.6 mt -47.15 -61.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.28 -51.38 11.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -55.19 -64.7 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.464 ' CD ' ' HB2' ' A' ' 25' ' ' ALA . 18.0 mmmt -40.8 -53.56 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.549 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 9.6 tttp -58.05 -53.17 61.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.8 t -51.86 -47.84 64.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.517 HD21 ' CG ' ' A' ' 32' ' ' HIS . 55.3 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.576 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 2.1 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 mt -112.27 144.65 41.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.493 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 14.5 tt -57.99 -35.73 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -73.11 -18.78 61.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.42 -22.93 21.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.576 ' CG2' ' CG2' ' A' ' 13' ' ' THR . 48.6 t -95.49 -22.95 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.04 -31.52 15.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.497 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 2.6 mmt180 -48.09 -51.63 47.21 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.2 Cg_endo -75.03 -51.11 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.791 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.429 ' CD1' HD22 ' A' ' 48' ' ' LEU . 10.4 mt -45.94 -41.25 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.96 -46.85 50.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -49.24 -29.59 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.77 -47.04 22.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.2 tp -49.5 -68.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -40.93 -41.66 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.456 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -61.76 -52.01 65.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' THR . 23.5 m -62.9 -49.72 73.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 108.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.36 -42.36 2.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.639 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.9 43.09 1.77 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' CYS . 24.4 m-70 -165.37 -64.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.607 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' CYS . 4.3 m -73.79 149.68 41.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -45.77 133.03 8.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -47.25 -54.55 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -41.21 -58.18 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 40' ' ' ASP . 70.9 t -51.71 -60.32 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.4 t -44.45 -60.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.281 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.01 -37.41 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' VAL . 4.5 t70 -70.48 -57.45 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.79 -61.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.6 p -39.63 -59.06 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.28 -46.88 6.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.451 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 16.5 mmt180 -59.34 -40.97 88.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 46' ' ' ALA . 11.1 mt -60.17 -56.01 26.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' LEU . . . -40.03 -46.63 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.14 -50.79 60.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.545 HD23 ' CZ3' ' A' ' 98' ' ' TRP . 8.7 tp -45.74 -57.57 4.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -57.41 -59.41 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -44.52 -49.85 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -65.34 -37.68 87.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.615 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.0 t90 -65.68 -62.83 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 107.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -58.18 -58.31 9.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.87 -35.95 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.97 37.1 5.55 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.4 ' O ' ' OE2' ' A' ' 94' ' ' GLU . 2.0 mmtt -99.05 -23.69 15.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 52' ' ' TRP . 40.8 mt -78.26 148.28 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.539 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.2 m -78.16 163.15 26.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.9 mt -64.25 -45.26 78.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.03 -2.58 12.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.55 HG22 ' CE1' ' A' ' 91' ' ' HIS . 3.9 t -89.7 -27.33 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.615 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 24.2 mttt -86.38 -42.2 13.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -36.33 79.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -72.18 -44.26 63.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 66' ' ' ALA . 23.7 mmm -51.64 -61.56 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -38.17 -42.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.239 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -50.35 -65.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.365 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 84' ' ' HIS . 1.0 OUTLIER -48.45 -46.38 37.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.458 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 47.0 t -56.74 -59.27 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -43.4 -43.36 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.458 ' CG ' ' HB3' ' A' ' 79' ' ' ALA . 9.0 mm-40 -63.71 -55.36 23.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 tt -46.4 -37.17 7.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.0 mt -62.54 -48.0 81.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.445 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 33.7 m170 -75.83 -1.97 27.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.621 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.472 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.2 m170 83.5 -1.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.625 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -67.26 70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.566 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 1.0 OUTLIER -63.66 -42.18 98.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 107.964 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.02 -41.47 59.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.458 ' HB3' ' CG ' ' A' ' 71' ' ' GLU . . . -70.69 -51.16 29.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -44.42 -52.98 7.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -58.99 5.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -39.82 -60.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.417 HD11 ' N ' ' A' ' 68' ' ' LEU . 13.7 mt -57.34 -54.53 29.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -43.55 -49.69 7.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.576 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.495 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 20.1 mmt85 -56.61 -48.39 77.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.9 m -53.66 -39.95 65.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.2 mt -71.68 -32.25 67.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.473 ' O ' ' CG ' ' A' ' 88' ' ' MET . 11.6 ttm -86.32 -8.71 57.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 85' ' ' ARG . 70.4 t -81.11 -50.56 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -95.34 -69.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.55 ' CE1' HG22 ' A' ' 61' ' ' VAL . 2.1 m-70 -75.12 61.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.62 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.411 ' O ' ' OG ' ' A' ' 96' ' ' SER . 9.8 p -86.72 -14.71 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.0 p -97.37 -10.34 25.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.359 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 56' ' ' LYS . 5.8 mm-40 -104.05 -62.72 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.578 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 10.1 m -55.26 -33.99 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 92' ' ' VAL . 13.1 p -55.17 170.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.84 -0.42 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.578 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 62.3 p-90 -160.94 -46.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.031 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.35 -45.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.406 HG23 ' NH1' ' A' ' 44' ' ' ARG . 29.4 m -45.22 -45.3 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.075 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.81 -57.2 21.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.2 t -50.4 -47.58 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.359 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.449 ' HD2' ' CE1' ' A' ' 84' ' ' HIS . 20.0 tttm -46.97 -47.41 21.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -69.01 -49.01 61.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 110.276 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.94 -55.82 2.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.1 mt -43.9 -65.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -42.13 -58.45 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -50.52 -64.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -42.94 -50.42 5.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.566 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 46.1 tttt -55.57 -63.51 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.37 -53.11 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.963 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.484 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 17.3 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.79 150.42 20.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.541 HD12 ' CD1' ' A' ' 52' ' ' TRP . 19.4 tt -61.62 -50.68 79.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -61.68 -15.46 40.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 -30.37 23.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.484 ' CG2' ' CG2' ' A' ' 13' ' ' THR . 59.4 t -96.01 -19.89 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 15' ' ' ILE . 0.6 OUTLIER -89.66 -38.09 14.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.479 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 1.1 mmt180 -38.3 -52.67 3.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.3 Cg_endo -74.99 -58.31 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.479 HD12 ' CE ' ' A' ' 65' ' ' MET . 13.6 mt -45.22 -26.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 21' ' ' PRO . 9.1 mt-10 -90.12 -39.37 12.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' PRO . 5.9 pt20 -66.21 -29.84 70.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.426 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -67.08 -51.67 51.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' CYS . 12.3 tp -46.87 -47.35 21.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -46.24 -32.64 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.6 -39.29 73.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -77.03 -35.15 57.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.446 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -59.5 -22.73 62.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.642 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.6 43.58 1.35 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.473 ' CB ' HD22 ' A' ' 112' ' ' LEU . 16.1 t60 -166.6 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.598 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.469 ' CB ' ' OE1' ' A' ' 108' ' ' GLU . 0.9 OUTLIER -68.4 151.75 46.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.413 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -45.6 155.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -69.66 -46.26 66.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -46.75 -47.68 20.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.03 -39.05 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.6 t -64.29 -53.47 48.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -49.9 -24.78 2.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.56 -59.31 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.6 mt -53.74 -59.08 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 p -42.07 -58.87 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.69 -46.15 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.452 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 62.6 mmt-85 -62.76 -41.06 99.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.418 1.074 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' ALA . 10.4 mt -53.84 -57.62 10.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' LEU . . . -40.02 -45.41 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.421 ' CD2' ' HG3' ' A' ' 51' ' ' GLN . 0.9 OUTLIER -66.07 -58.88 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.7 tp -40.43 -52.12 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -63.72 -61.79 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -44.73 -50.11 10.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.421 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -66.35 -38.28 87.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.586 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 1.8 t90 -64.45 -63.24 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 108.005 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.51 -56.71 18.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.51 -34.24 0.24 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.31 18.96 29.4 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -84.01 -14.15 51.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.1 mt -91.65 136.6 33.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.511 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -68.1 161.01 27.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.009 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 2.8 mp -67.31 -44.54 47.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -75.07 -5.62 16.99 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.429 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.5 t -89.52 -20.11 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -94.36 -45.87 7.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' CE ' HG23 ' A' ' 59' ' ' ILE . 1.7 mtmp? -54.68 -35.09 63.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.467 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -71.64 -40.61 69.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.479 ' CE ' HD12 ' A' ' 22' ' ' LEU . 22.0 mmm -57.25 -57.44 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.09 -43.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.0 mt -54.51 -66.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.484 ' C ' ' CD2' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -45.28 -43.41 10.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 76.1 t -58.9 -53.71 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -51.37 -29.24 14.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.439 ' CD ' ' CB ' ' A' ' 79' ' ' ALA . 6.0 mm-40 -75.75 -41.0 54.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.14 -26.09 68.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.0 mt -79.14 -37.65 38.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.551 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER -83.39 -2.0 54.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.585 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.551 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 0.7 OUTLIER 82.91 -3.21 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.623 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 71' ' ' GLU . 29.5 mm-40 -69.15 61.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.518 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -56.19 -46.71 79.31 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -49.05 -50.68 35.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.439 ' CB ' ' CD ' ' A' ' 71' ' ' GLU . . . -60.01 -54.16 49.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.356 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -45.37 -46.06 12.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.16 -38.84 92.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -58.54 -50.22 74.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.5 mt -68.6 -43.63 83.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.562 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -50.38 -57.9 6.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.551 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 89' ' ' VAL . 22.6 mmt180 -51.21 -53.15 37.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.333 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.6 m -47.94 -44.12 29.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 110.038 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 64' ' ' ARG . 30.5 mt -67.47 -29.99 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.471 ' O ' ' CG ' ' A' ' 88' ' ' MET . 12.4 ttm -87.84 -9.24 54.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 85' ' ' ARG . 78.7 t -83.46 -49.7 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.5 -69.64 0.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.429 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 15.5 m-70 -81.66 62.62 5.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.584 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 96' ' ' SER . 3.5 p -81.9 -50.81 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.487 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 31.5 p -62.57 -11.82 18.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -95.77 -61.93 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.562 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 10.5 m -61.71 -27.46 42.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 58.1 p -61.08 163.22 6.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.466 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.1 tt0 83.24 1.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.562 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 69.7 p-90 -164.12 -46.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 108.04 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.485 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.4 OUTLIER -37.92 -42.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.452 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 27.2 m -45.53 -46.7 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -59.47 -59.96 9.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 76.7 t -47.82 -46.96 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.95 -52.96 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -61.73 -47.85 83.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.426 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -40.64 -60.21 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.4 mt -44.45 -52.26 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.79 -42.55 75.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.469 ' OE1' ' CB ' ' A' ' 33' ' ' THR . 2.2 mm-40 -61.6 -66.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.447 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 17.9 mmmt -40.62 -54.42 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -48.16 -55.56 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.66 -59.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 32' ' ' HIS . 1.8 mp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.592 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 1.4 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mt -105.34 151.9 23.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.507 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 19.5 tt -62.02 -41.06 89.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 20' ' ' ARG . 39.8 mt-10 -75.01 -8.0 55.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.51 -31.27 16.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.592 ' CG2' ' CG2' ' A' ' 13' ' ' THR . 38.7 t -92.84 -16.1 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.02 -37.38 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.514 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -43.13 -50.84 14.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.3 Cg_endo -75.02 -53.2 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.469 ' CD1' ' HE3' ' A' ' 65' ' ' MET . 8.4 mt -43.61 -39.93 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -73.77 -48.09 34.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -46.55 -46.54 19.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.471 ' CB ' ' HD3' ' A' ' 109' ' ' LYS . . . -57.71 -55.03 40.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.4 tp -43.46 -54.94 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -41.11 -43.62 2.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -54.81 26.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -55.3 -46.66 76.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.254 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.46 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -49.9 -24.1 2.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.28 34.18 4.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -160.02 -66.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 109.593 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.82 150.63 48.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.44 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.3 146.75 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -29.44 70.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -68.91 -57.16 5.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.0 t -58.46 -31.97 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.5 t -67.19 -52.1 45.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 108.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -54.52 -32.96 59.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.73 -64.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 52.9 mt -41.61 -62.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.7 p -44.06 -54.52 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -47.86 -39.04 17.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.468 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 15.4 mmt180 -69.17 -36.54 77.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.78 -55.93 28.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.47 -45.54 2.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.75 -56.36 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.572 ' HB2' ' CE3' ' A' ' 98' ' ' TRP . 2.3 tp -40.58 -52.27 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -62.07 -44.13 97.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' GLY . 31.4 mt-10 -61.09 -46.56 90.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -68.13 -38.56 82.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.611 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 1.7 t-105 -63.15 -61.66 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -60.75 -56.8 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.45 -33.59 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 97.69 7.76 56.42 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' O ' ' OE1' ' A' ' 94' ' ' GLU . 1.5 mmmt -71.56 -10.64 60.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.413 HD12 ' CA ' ' A' ' 52' ' ' TRP . 76.0 mt -96.77 142.44 28.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.547 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.1 m -75.08 162.68 28.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.633 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 6.1 mt -64.22 -45.03 78.61 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -75.03 -2.57 12.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.661 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.5 t -89.83 -29.4 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.611 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 34.3 mttm -84.92 -42.06 15.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -35.43 77.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -42.38 56.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.469 ' HE3' ' CD1' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -53.19 -57.49 10.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -42.05 -35.96 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.3 -61.88 2.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 84' ' ' HIS . 1.1 tt -49.18 -42.9 41.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.45 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 46.9 t -61.01 -60.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -42.45 -43.69 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.464 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 44.1 mm-40 -63.81 -55.59 21.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tt -49.55 -33.37 14.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.8 mt -66.19 -43.98 85.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.471 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 10.0 m-70 -80.56 -2.29 45.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.548 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.512 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 3.4 m170 85.16 0.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.624 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.404 ' CB ' ' OE1' ' A' ' 71' ' ' GLU . 35.5 mm-40 -69.3 70.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.519 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -65.7 -37.89 87.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 108.037 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.58 -34.44 64.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.464 ' HB2' ' CG ' ' A' ' 71' ' ' GLU . . . -79.35 -49.24 12.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.33 -53.99 4.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -57.17 -55.51 33.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -39.89 -57.75 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.419 HD12 ' N ' ' A' ' 68' ' ' LEU . 10.9 mt -61.63 -56.94 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.493 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -40.71 -49.19 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.571 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.505 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 33.5 mmt180 -58.18 -49.44 77.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.7 p -51.38 -41.77 60.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 74.0 mt -71.52 -45.03 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -8.48 38.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 85' ' ' ARG . 55.2 t -84.52 -50.67 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.58 -69.69 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.661 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 7.5 m-70 -82.33 64.45 7.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.627 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.449 ' O ' ' CB ' ' A' ' 96' ' ' SER . 3.6 p -84.58 -40.18 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.1 p -72.54 -16.71 61.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 56' ' ' LYS . 7.8 mm-40 -88.05 -61.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.572 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 18.5 m -58.64 -30.81 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 21.3 p -59.43 161.05 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 96' ' ' SER . 6.7 tt0 85.32 0.68 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 48' ' ' LEU . 66.6 p-90 -163.59 -44.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' TRP . 0.4 OUTLIER -37.62 -47.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.468 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 35.1 m -41.21 -42.93 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -62.58 -55.18 28.7 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.16 -47.95 79.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -46.81 -54.02 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -59.99 -48.4 81.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.409 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -42.35 -51.1 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 34.1 mt -46.77 -61.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -46.61 -59.14 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -50.31 -67.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.471 ' HD3' ' CB ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -42.12 -53.02 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.519 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 23.4 tttt -56.45 -54.18 48.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.36 -51.71 18.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.528 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 2.4 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.408 ' N ' HG21 ' A' ' 13' ' ' THR . 2.8 mt -115.76 149.73 38.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.402 HD12 ' CD1' ' A' ' 52' ' ' TRP . 21.5 tt -57.85 -43.51 84.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -70.73 -6.43 37.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.87 -32.53 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.559 HG21 ' CZ2' ' A' ' 52' ' ' TRP . 42.8 t -90.8 -22.43 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -89.68 -38.29 13.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -38.95 -52.34 3.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.4 Cg_endo -74.93 -58.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.7 mt -45.45 -27.55 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 19' ' ' LEU . 11.0 mt-10 -86.73 -46.61 9.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -61.07 -29.45 69.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.47 ' HB2' ' CD ' ' A' ' 109' ' ' LYS . . . -68.11 -44.35 76.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' CYS . 17.7 tp -51.88 -60.9 2.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -44.73 -46.56 10.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.46 -37.27 75.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' THR . 62.4 m -75.53 -43.7 47.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.7 -25.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.093 . . . . 0.0 109.581 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.21 -34.28 10.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.565 1.166 . . . . 0.0 111.037 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 29' ' ' CYS . 79.9 t60 -101.44 -72.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.503 HG22 ' CG2' ' A' ' 37' ' ' VAL . 8.2 m -42.4 152.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.471 ' N ' HG11 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -55.79 -166.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -94.82 -59.75 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.36 -45.07 35.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.503 ' CG2' HG22 ' A' ' 33' ' ' THR . 2.6 p -48.61 -60.85 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' ASP . 49.0 t -47.72 -59.63 3.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 38' ' ' CYS . 20.3 t70 -39.62 -34.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -76.22 -60.02 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.9 mt -49.92 -58.2 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.9 p -47.08 -54.46 10.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -38.56 22.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.434 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 30.9 mmt180 -69.84 -44.01 70.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.5 mt -53.54 -55.74 22.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.17 -43.39 1.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.11 -55.02 16.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.477 ' HB2' ' CE3' ' A' ' 98' ' ' TRP . 6.2 tp -42.57 -53.8 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -58.2 -51.64 68.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.344 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 54' ' ' GLY . 31.2 mm-40 -54.71 -55.57 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.62 -37.17 80.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.587 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.1 t-105 -66.0 -64.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 107.996 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -54.09 -59.15 5.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -38.6 -30.79 0.1 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 87.1 31.68 16.5 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.34 -26.36 22.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 52' ' ' TRP . 20.2 mt -75.72 160.23 30.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.531 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.8 OUTLIER -86.8 158.72 19.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.1 mt -63.2 -44.96 85.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -74.98 -2.63 12.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.62 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.3 t -90.69 -25.75 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.587 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 30.7 mttm -89.37 -41.36 12.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.34 80.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -42.87 60.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' ALA . 16.7 mmm -53.69 -58.81 5.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -38.76 -45.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.6 mt -51.46 -68.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.515 ' C ' ' CD2' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -44.98 -43.12 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.473 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 74.5 t -60.55 -50.65 79.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -53.71 -30.12 42.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' GLN . 4.9 mm-40 -74.48 -43.18 57.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 tt -61.51 -25.29 67.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.8 mt -75.59 -41.09 55.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.488 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 29.0 m170 -83.24 -2.44 55.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.518 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.7 m170 84.46 1.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.615 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' GLU . 29.4 mm-40 -71.38 59.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.518 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -54.21 -53.05 58.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -43.09 -52.81 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 82' ' ' ASP . . . -57.29 -54.81 42.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -45.06 -51.12 10.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.54 -36.86 69.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 79' ' ' ALA . 1.3 t70 -60.69 -58.57 7.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.0 mt -59.37 -46.28 92.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.1 -49.89 50.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.634 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -54.47 -52.38 62.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.6 p -48.42 -40.99 27.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.5 mt -71.76 -43.34 65.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -9.15 50.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 71.8 t -80.55 -55.28 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -95.09 -69.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.62 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 13.9 m-70 -75.85 60.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.571 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 93' ' ' THR . 6.0 p -84.91 -49.57 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.431 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -67.53 -21.36 65.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.388 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -81.48 -61.49 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.56 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 25.6 m -57.39 -38.63 63.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.1 p -48.75 174.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 73.46 2.92 4.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.262 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.56 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 69.3 p-90 -167.72 -44.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 108.011 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.468 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -37.09 -47.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.958 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.434 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 28.8 m -42.34 -46.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -58.85 -48.51 85.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.098 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.53 -55.59 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 0.731 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -42.79 -50.15 5.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -62.76 -50.48 70.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.255 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.425 ' CD2' ' HB1' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -43.07 -59.76 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.325 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 40.1 mt -41.85 -59.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.3 -48.17 36.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -58.97 -64.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.47 ' CD ' ' HB2' ' A' ' 25' ' ' ALA . 6.9 mmmt -40.76 -48.2 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' SER . 14.7 tttm -57.95 -50.92 71.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' LYS . 0.1 OUTLIER -39.44 -54.16 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.401 HG22 ' CB ' ' A' ' 66' ' ' ALA . 3.0 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.0 mt -106.33 151.71 24.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.54 HD12 ' CD1' ' A' ' 52' ' ' TRP . 19.3 tt -61.91 -49.29 84.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.92 -16.76 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.73 -33.6 30.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.541 ' CG2' ' CH2' ' A' ' 52' ' ' TRP . 63.4 t -89.3 -21.15 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -90.11 -37.0 14.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.591 1.182 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.486 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 2.6 mmt180 -38.87 -52.34 3.74 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 110.348 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.2 Cg_endo -75.06 -58.0 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.448 ' CD1' ' HE3' ' A' ' 65' ' ' MET . 21.1 mt -45.43 -28.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' LEU . 15.3 mt-10 -85.66 -46.07 11.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 21' ' ' PRO . 5.8 pt20 -62.35 -28.83 70.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.479 ' HB1' ' CD ' ' A' ' 109' ' ' LYS . . . -71.24 -50.28 34.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' CYS . 41.5 tp -46.14 -61.41 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.19 -45.96 5.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.56 -41.21 72.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 26' ' ' LEU . 82.0 m -70.43 -42.22 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 108.317 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -42.47 -54.57 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.415 ' O ' ' CD2' ' A' ' 32' ' ' HIS . . . -90.96 47.58 2.95 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.572 ' CD2' HD23 ' A' ' 112' ' ' LEU . 19.8 m-70 -167.29 -76.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.6 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.4 m -66.59 151.69 46.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.419 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.96 170.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -82.42 -48.07 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -50.9 -35.05 30.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.2 t -76.49 -54.64 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -41.54 64.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 108.344 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -31.68 72.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -71.41 -60.73 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 44' ' ' ARG . 29.4 mt -49.75 -61.21 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.4 p -42.24 -54.87 3.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.4 -34.84 1.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.452 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 3.9 mmt180 -71.55 -51.53 22.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.9 mt -43.02 -50.68 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.39 -45.05 35.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.459 HD13 ' CB ' ' A' ' 97' ' ' GLN . 2.0 tt -68.69 -41.2 79.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.408 HD22 ' CD1' ' A' ' 22' ' ' LEU . 13.5 tp -55.14 -62.08 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 53' ' ' ALA . 68.1 ttt180 -51.17 -60.82 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -42.52 -54.57 3.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -38.77 86.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.576 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.2 t90 -65.83 -66.83 0.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 49' ' ' ARG . . . -50.7 -59.11 4.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.04 -40.43 1.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.2 12.74 32.97 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -26.17 61.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.0 mt -73.97 147.97 42.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.5 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -81.64 149.13 28.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.603 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.1 mt -55.36 -45.57 99.84 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.06 -5.63 17.01 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.519 1.8 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.482 HG21 ' CG ' ' A' ' 91' ' ' HIS . 2.2 t -92.13 -20.92 6.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.576 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 2.0 mttp -88.76 -47.85 7.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -29.33 67.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.12 -45.69 26.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.448 ' HE3' ' CD1' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -52.97 -58.31 7.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.61 -35.45 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mt -62.01 -62.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.55 -34.05 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.448 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 68.3 t -72.4 -60.06 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -41.28 -37.94 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 79' ' ' ALA . 9.2 mm-40 -66.76 -51.22 58.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.56 -27.28 37.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.4 mt -70.59 -45.76 64.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.54 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -79.11 -1.73 37.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.616 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.54 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 1.7 m170 88.49 -3.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.642 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -66.1 73.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.528 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -68.43 -38.24 81.01 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -41.52 70.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.464 ' HB3' ' CG ' ' A' ' 71' ' ' GLU . . . -70.52 -51.27 29.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -40.04 -54.95 2.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -60.6 -45.82 92.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -45.12 -66.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.9 mt -54.23 -52.42 38.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.239 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.534 ' CG ' ' N ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -40.32 -70.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.59 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.534 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 24.2 mmt180 -39.77 -63.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.1 m -47.27 -36.74 9.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 84' ' ' HIS . 6.0 mt -71.29 -35.42 71.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.464 ' O ' ' CG ' ' A' ' 88' ' ' MET . 12.2 ttm -85.47 -9.35 57.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 85' ' ' ARG . 54.4 t -79.58 -58.31 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -86.21 -65.48 1.01 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.482 ' CG ' HG21 ' A' ' 61' ' ' VAL . 3.8 m-70 -79.99 61.54 3.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.642 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.415 HG11 ' N ' ' A' ' 93' ' ' THR . 9.8 p -82.09 -24.03 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.415 ' N ' HG11 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -84.56 -9.85 57.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.449 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -103.76 -56.08 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.564 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 1.8 m -83.42 52.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' ' 97' ' ' GLN . 4.8 p -132.07 159.13 39.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' A' ' 96' ' ' SER . 69.0 mt-30 74.54 12.49 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.564 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.4 p-90 -163.4 -48.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 95' ' ' VAL . 28.8 tpp -37.54 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.061 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 98' ' ' TRP . 27.3 m -56.31 -49.39 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.4 -63.99 4.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 101' ' ' GLY . 73.2 t -40.01 -53.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.8 tttm -42.0 -49.47 4.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 101' ' ' GLY . 15.4 tpp180 -66.78 -50.7 61.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.462 HD23 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -42.33 -56.13 3.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.5 mt -44.9 -58.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.03 -52.18 45.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -55.14 -61.82 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.479 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 12.4 mmmt -45.81 -48.24 15.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.513 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 60.9 tttt -55.44 -59.14 5.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.07 -52.73 8.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.572 HD23 ' CD2' ' A' ' 32' ' ' HIS . 55.5 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.448 HG22 ' CB ' ' A' ' 66' ' ' ALA . 43.4 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mt -103.89 155.13 18.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.483 HD11 ' CD1' ' A' ' 52' ' ' TRP . 16.0 tt -64.73 -38.17 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -78.42 -6.22 54.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.256 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.92 -33.74 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.511 HG22 ' CH2' ' A' ' 52' ' ' TRP . 40.9 t -88.82 -19.2 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -89.5 -41.23 12.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.471 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -37.69 -53.09 2.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.2 Cg_endo -75.02 -54.74 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.413 ' CD1' HD21 ' A' ' 48' ' ' LEU . 9.2 mt -45.04 -32.12 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -82.16 -42.79 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 3.3 mm-40 -53.8 -43.3 69.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.469 ' HB3' ' CD2' ' A' ' 105' ' ' LEU . . . -61.55 -43.13 99.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.452 ' CD2' HD11 ' A' ' 45' ' ' LEU . 29.0 tp -50.83 -64.73 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -41.07 -40.88 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -54.81 37.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.9 m -60.88 -46.17 91.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 108.329 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.18 -41.7 8.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.579 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.21 44.9 1.38 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.448 ' CG ' HD22 ' A' ' 112' ' ' LEU . 25.4 m-70 -164.76 -67.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.75 . . . . 0.0 109.599 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -72.49 153.86 41.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.43 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -44.19 123.53 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -43.75 -48.95 8.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -49.59 -51.51 36.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.67 -53.18 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.9 t -48.15 -56.45 7.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 108.342 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -46.92 -44.37 19.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.411 ' HA ' ' NH1' ' A' ' 43' ' ' ARG . 44.2 t0 -64.61 -43.09 94.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.69 -56.91 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 p -49.76 -39.16 36.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.411 ' NH1' ' HA ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -54.42 -36.3 63.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.465 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 4.7 mmt180 -71.27 -49.11 46.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.452 HD11 ' CD2' ' A' ' 26' ' ' LEU . 10.7 mt -49.81 -55.2 15.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.08 -46.01 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' LEU . 3.9 tt -66.98 -55.68 13.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' A' ' 22' ' ' LEU . 2.6 tp -40.29 -55.06 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -57.3 -48.27 79.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 54' ' ' GLY . 2.3 mt-10 -54.41 -57.63 10.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.81 -38.49 82.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.583 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.1 t90 -64.49 -64.06 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.425 ' N ' HD11 ' A' ' 15' ' ' ILE . . . -55.13 -59.78 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.36 -38.3 0.25 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.0 33.53 6.0 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -95.0 -33.96 12.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.9 mt -64.05 152.07 41.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.556 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -80.79 158.39 25.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.978 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.645 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 6.0 mm -65.5 -43.41 62.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -75.04 -2.61 12.76 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.524 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.7 t -90.28 -25.39 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.583 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 30.1 mttt -88.71 -42.51 11.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -34.94 75.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -44.81 27.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' ALA . 18.9 mmm -51.2 -59.18 4.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.448 ' CB ' HG22 ' A' ' 13' ' ' THR . . . -39.67 -40.72 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.0 mt -54.32 -64.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -49.6 -43.36 46.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.453 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 49.9 t -59.26 -59.77 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -43.86 -42.31 5.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 79' ' ' ALA . 9.1 mm-40 -64.27 -53.96 40.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.4 tt -48.23 -36.13 13.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.55 -48.24 73.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -75.74 -1.77 26.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.583 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.2 m170 79.05 10.19 1.64 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 109.595 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -76.55 55.22 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.565 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 0.9 OUTLIER -48.13 -53.29 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 107.998 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 77' ' ' TRP . 3.1 t0 -40.56 -42.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.466 ' HB3' ' CG ' ' A' ' 71' ' ' GLU . . . -71.96 -50.38 29.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.78 -52.85 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.53 -51.16 71.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -43.21 -61.66 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.9 mt -58.45 -52.38 60.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.457 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 2.8 t-80 -42.43 -59.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -48.42 -51.14 28.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.5 m -47.98 -43.08 29.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.98 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 91' ' ' HIS . 38.2 mt -70.34 -33.49 71.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.413 ' HG3' ' NE2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -76.11 -9.06 58.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 56.3 t -79.99 -55.27 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -95.62 -68.93 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.524 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 8.7 m-70 -81.69 64.1 6.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.604 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.405 ' CG1' ' N ' ' A' ' 93' ' ' THR . 2.8 p -82.24 -45.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.405 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -70.09 -54.32 13.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -44.19 -53.62 6.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.474 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 13.6 m -65.58 -34.21 68.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.418 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 2.2 p -49.85 167.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' ' 96' ' ' SER . 2.0 tt0 79.99 0.02 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.474 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.9 p-90 -166.15 -43.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 98' ' ' TRP . 32.1 tpp -36.75 -32.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' TRP . 28.7 m -55.44 -51.53 56.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -52.02 -59.98 8.13 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 98.5 t -43.37 -54.89 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -42.89 -60.36 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -55.67 -51.77 66.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -43.19 -58.67 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 48.0 mt -41.34 -64.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.62 -53.9 5.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -52.18 -65.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.448 ' HD3' ' CB ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -42.38 -48.85 5.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.565 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 1.6 ttpt -58.85 -62.45 1.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t -43.19 -49.44 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.039 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.448 HD22 ' CG ' ' A' ' 32' ' ' HIS . 13.1 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mt -99.38 147.63 25.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.346 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.494 HD12 ' CD1' ' A' ' 52' ' ' TRP . 15.3 tt -65.75 -40.07 86.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.21 -6.61 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.57 -25.52 15.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.562 HG22 ' CH2' ' A' ' 52' ' ' TRP . 88.9 t -96.11 -22.6 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.92 -22.42 19.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.513 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -59.41 -51.14 83.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.4 Cg_endo -74.98 -43.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 48' ' ' LEU . 32.5 mt -51.28 -46.91 62.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -68.51 -41.07 80.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.468 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 8.3 mm-40 -54.18 -28.75 42.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.433 ' CB ' ' HD3' ' A' ' 109' ' ' LYS . . . -77.64 -44.85 26.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' CYS . 21.2 tp -57.61 -67.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -36.49 -37.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.96 -52.29 13.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' LEU . 3.1 p -51.4 -33.13 28.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.332 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -39.99 -60.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.587 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.43 ' O ' ' CD2' ' A' ' 32' ' ' HIS . . . -89.76 49.1 3.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.569 ' CD2' HD23 ' A' ' 112' ' ' LEU . 22.7 m-70 -164.81 -71.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.613 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' CYS . 11.4 m -70.93 146.63 49.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.446 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.63 156.08 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -64.74 -60.02 3.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.414 ' N ' ' HD2' ' A' ' 35' ' ' LYS . 43.0 mt-30 -38.94 -45.69 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.458 HG12 ' CD1' ' A' ' 41' ' ' ILE . 98.6 t -67.35 -52.94 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.6 t -51.5 -54.8 23.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.317 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -52.75 -37.57 59.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -68.37 -59.49 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.458 ' CD1' HG12 ' A' ' 37' ' ' VAL . 32.6 mt -50.13 -59.34 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.235 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.4 p -45.16 -54.33 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -48.23 -41.14 26.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.262 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.412 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 64.2 mmt-85 -66.41 -30.05 70.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.426 ' C ' ' N ' ' A' ' 47' ' ' LEU . 22.5 mt -67.05 -57.0 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.13 -28.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 50' ' ' GLU . 1.3 tt -79.41 -62.81 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.501 ' HB2' ' CE3' ' A' ' 98' ' ' TRP . 12.6 tp -42.21 -33.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -75.75 -44.07 43.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.5 pt-20 -67.05 -42.34 84.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.446 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 63.4 mt-30 -69.31 -39.42 78.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.584 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 1.8 t90 -64.76 -57.67 8.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.013 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -63.53 -58.97 5.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.27 -31.57 0.07 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 93.07 24.62 22.0 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -92.13 -6.4 50.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.428 ' CD1' ' HA ' ' A' ' 52' ' ' TRP . 88.5 mt -96.4 137.85 34.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.518 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -72.63 158.68 35.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.986 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 3.6 mt -61.96 -45.34 91.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -74.95 -3.27 13.67 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.419 HG23 ' ND1' ' A' ' 91' ' ' HIS . 2.6 t -90.72 -25.84 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.584 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 6.5 mttt -87.46 -41.58 13.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -37.2 83.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.471 ' O ' ' CG2' ' A' ' 83' ' ' ILE . 2.0 mtt180 -73.69 -26.14 60.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.401 ' HE3' ' CD1' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -73.23 -54.78 7.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.45 -38.12 28.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.6 mt -53.9 -65.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.61 -41.61 22.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.473 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 50.6 t -61.7 -63.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 69' ' ' VAL . 36.7 mm-40 -38.7 -39.14 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.469 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 8.2 mm-40 -68.74 -52.55 29.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.39 -27.53 6.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.1 mt -71.05 -48.7 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.463 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 10.1 m-70 -76.09 -1.86 28.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.625 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.495 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.4 m170 85.57 -2.81 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.582 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -65.41 73.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.1 m95 -67.46 -38.96 85.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.038 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.23 -38.08 65.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.469 ' HB1' ' CG ' ' A' ' 71' ' ' GLU . . . -74.28 -50.32 19.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.99 -52.09 5.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -51.35 69.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -45.74 -54.1 8.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 64' ' ' ARG . 9.6 mt -65.61 -49.95 74.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.44 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -49.76 -37.98 32.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.554 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -69.92 -53.35 18.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.4 m -48.5 -30.05 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 64' ' ' ARG . 9.2 mt -77.56 -42.73 34.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -9.1 40.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 71.6 t -76.91 -61.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -94.18 -69.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.419 ' ND1' HG23 ' A' ' 61' ' ' VAL . 4.3 m-70 -76.57 60.34 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.635 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.8 p -79.16 -43.87 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.16 -52.85 14.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -45.46 -54.02 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.575 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 13.3 m -64.65 -32.55 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 p -53.35 171.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.409 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 1.8 mt-30 75.58 1.59 3.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.575 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 69.6 p-90 -166.35 -44.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.027 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 33.8 tpp -37.97 -50.11 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.9 m -41.87 -43.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -62.27 -71.02 0.88 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 101' ' ' GLY . 81.9 t -40.13 -52.89 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -57.42 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -57.18 -49.57 75.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.35 -58.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.0 mt -41.26 -63.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.18 -55.82 3.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -51.1 -61.15 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.433 ' HD3' ' CB ' ' A' ' 25' ' ' ALA . 28.9 mmmt -44.59 -54.19 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -50.96 -49.87 59.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.42 -53.73 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 32' ' ' HIS . 86.9 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.445 -0.205 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -84.08 139.95 32.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.577 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 13.9 tt -61.33 -41.24 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.495 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 2.5 mm-40 -67.02 -20.93 65.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.14 -29.5 48.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.547 HG23 ' CH2' ' A' ' 52' ' ' TRP . 37.2 t -91.21 -19.46 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.57 -30.14 15.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -48.74 -51.71 51.43 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.3 Cg_endo -75.01 -50.94 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.474 HD13 ' CD2' ' A' ' 48' ' ' LEU . 10.8 mt -46.51 -40.57 12.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -73.97 -44.57 54.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -51.5 -43.95 62.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.496 ' CB ' HD23 ' A' ' 105' ' ' LEU . . . -61.93 -50.09 73.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 29' ' ' CYS . 18.4 tp -51.16 -57.52 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -39.97 -38.51 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.87 -48.97 32.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' THR . 61.4 m -58.83 -52.75 64.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.267 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.88 -31.17 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.547 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.81 35.41 4.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -160.8 -63.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 0.742 . . . . 0.0 109.574 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.498 ' CG2' ' OE2' ' A' ' 108' ' ' GLU . 3.4 m -68.43 166.07 17.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.422 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' N ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -51.5 171.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -44.36 12.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -69.98 -30.97 68.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.1 t -75.57 -40.73 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 9.0 t -65.93 -52.47 49.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 108.321 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -34.37 57.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -65.48 -47.75 75.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.8 mt -58.41 -56.99 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.93 -47.94 32.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -46.8 -40.29 13.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 4.3 mmt180 -70.07 -50.49 40.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 mt -49.05 -53.83 18.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.25 -46.27 4.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.401 ' CD2' ' HG3' ' A' ' 51' ' ' GLN . 3.6 tt -69.63 -55.97 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.474 ' CD2' HD13 ' A' ' 22' ' ' LEU . 2.8 tp -40.48 -52.42 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' TRP . 10.8 ttt180 -61.95 -64.72 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -40.78 -50.76 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -62.04 -40.81 97.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.589 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.0 t90 -63.17 -62.18 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 108.041 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.409 ' N ' HD13 ' A' ' 15' ' ' ILE . . . -54.53 -59.83 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -37.6 -36.38 0.27 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.25 25.98 10.59 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -85.37 -32.29 22.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 0.727 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.6 mt -70.91 142.9 51.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.518 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -77.33 159.14 29.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.607 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 3.5 mt -60.21 -45.99 97.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.97 -6.12 17.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.519 HG22 ' CG ' ' A' ' 91' ' ' HIS . 6.4 t -89.38 -21.25 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.589 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -91.48 -43.49 9.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.438 ' NZ ' ' CG2' ' A' ' 59' ' ' ILE . 3.6 mtmt -54.89 -35.97 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -35.63 61.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.468 ' HE1' ' CD1' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.61 -54.85 33.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.35 -37.88 50.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.4 mt -58.42 -67.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 84' ' ' HIS . 5.2 tt -42.36 -42.67 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.445 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 59.1 t -62.09 -51.37 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -49.03 -30.53 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' CD ' ' CB ' ' A' ' 79' ' ' ALA . 4.3 mm-40 -78.05 -41.42 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.89 -21.39 65.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.9 mt -79.22 -37.29 38.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -87.17 -2.55 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.607 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.3 m170 79.94 11.38 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.63 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -79.73 52.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.505 ' CG ' ' HB2' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -43.66 -55.02 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 107.977 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.24 -53.19 5.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.446 ' CB ' ' CD ' ' A' ' 71' ' ' GLU . . . -59.29 -51.64 69.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.476 ' CB ' ' HG ' ' A' ' 68' ' ' LEU . . . -47.82 -46.61 31.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -55.88 29.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -40.03 -52.13 2.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 68' ' ' LEU . 18.2 mt -59.01 -60.44 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.48 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -40.17 -48.33 2.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.575 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 88' ' ' MET . 15.4 mmt180 -54.13 -54.26 41.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.1 m -48.39 -35.9 13.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' HIS . 7.7 mt -72.2 -33.21 67.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.441 ' O ' ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -74.95 -7.95 55.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 79.3 t -79.63 -58.04 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -95.67 -70.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.519 ' CG ' HG22 ' A' ' 61' ' ' VAL . 1.7 m-70 -79.37 63.72 4.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.591 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 88' ' ' MET . 2.1 p -86.05 -16.15 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 96' ' ' SER . 1.0 OUTLIER -95.52 -61.98 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.469 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -43.65 -52.84 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 15.7 m -62.2 -35.16 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.479 ' O ' ' CD1' ' A' ' 98' ' ' TRP . 1.1 p -51.66 178.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 96' ' ' SER . 0.9 OUTLIER 69.16 3.84 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.565 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.9 p-90 -167.96 -42.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.01 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.483 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -35.83 -34.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.437 ' CG2' ' N ' ' A' ' 101' ' ' GLY . 18.4 m -57.25 -53.62 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -48.72 -55.78 10.73 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.471 HG21 ' CE3' ' A' ' 98' ' ' TRP . 61.3 t -46.18 -53.64 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -46.58 -46.23 19.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -65.74 -52.27 52.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.496 HD23 ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -46.82 -51.86 15.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 76.3 mt -51.1 -63.96 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.37 -45.68 55.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.498 ' OE2' ' CG2' ' A' ' 33' ' ' THR . 2.5 mt-10 -55.94 -61.95 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.465 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 9.8 mmmt -45.24 -58.29 3.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.505 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 2.1 ttpm? -50.97 -51.7 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.6 -55.27 9.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.8 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.436 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 2.0 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mt -99.97 148.59 24.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.357 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.561 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 16.5 tt -60.48 -46.26 95.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.497 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 39.3 mt-10 -67.39 -19.68 65.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.06 -29.43 43.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.585 HG21 ' CH2' ' A' ' 52' ' ' TRP . 43.7 t -93.39 -18.61 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.75 -28.41 16.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.505 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -51.3 -51.28 70.15 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.4 Cg_endo -75.0 -50.04 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.546 1.814 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.455 ' CD1' ' CD2' ' A' ' 48' ' ' LEU . 10.5 mt -47.7 -42.03 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.21 -42.72 59.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -53.28 -42.95 67.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.469 ' CB ' ' HD3' ' A' ' 109' ' ' LYS . . . -62.1 -53.85 49.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.9 tp -41.9 -53.91 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -43.08 -44.18 4.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -63.8 -53.35 52.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' THR . 88.9 m -55.97 -43.87 77.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 108.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.17 -62.36 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.635 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -91.3 49.2 2.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.502 ' CG ' HD21 ' A' ' 112' ' ' LEU . 27.0 m-70 -163.37 -70.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 109.616 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' CYS . 2.5 m -71.02 155.78 40.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm -46.6 164.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -71.93 -57.9 3.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.51 -59.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.7 t -48.5 -57.98 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.0 t -50.14 -52.76 32.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.42 -40.81 60.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -68.49 -62.19 1.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.4 mt -41.86 -51.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.1 p -60.01 -46.53 89.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.7 -36.64 25.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.467 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 4.2 mmt180 -70.91 -46.38 62.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.404 ' C ' ' N ' ' A' ' 47' ' ' LEU . 15.3 mt -47.24 -54.75 10.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.03 -24.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 50' ' ' GLU . 1.4 tt -85.73 -60.47 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.455 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 11.0 tp -43.54 -34.74 1.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 -73.75 -41.03 63.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.8 pt-20 -68.29 -41.17 81.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.417 ' N ' ' CG ' ' A' ' 50' ' ' GLU . 49.7 mt-30 -71.32 -38.68 71.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.601 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.2 t-105 -66.19 -57.91 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 108.029 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -64.84 -58.26 6.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.66 -32.27 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 91.97 21.01 34.52 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -9.69 53.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.4 mt -89.07 153.43 20.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.519 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 13.5 p -90.33 156.74 18.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.0 mt -58.95 -45.66 99.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.99 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.493 ' CG2' ' OG ' ' A' ' 58' ' ' SER . 1.9 t -90.92 -25.81 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.601 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 5.2 mttt -87.71 -40.21 14.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -38.5 91.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -74.75 -27.35 60.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.42 ' HE1' ' CD1' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -70.6 -55.08 9.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.957 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.09 -39.2 55.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.1 mt -52.85 -65.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.09 -41.36 17.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.553 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 50.9 t -62.17 -63.97 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 69' ' ' VAL . 85.3 mm-40 -38.17 -40.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.348 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.483 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 8.2 mm-40 -67.2 -53.04 34.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tt -52.11 -31.3 30.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.5 mt -65.55 -47.8 74.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.512 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 6.8 m170 -76.64 -1.77 29.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.589 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.516 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 3.2 m170 89.0 -7.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -61.64 83.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.516 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -77.82 -31.03 51.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -35.74 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB1' ' CG ' ' A' ' 71' ' ' GLU . . . -77.38 -49.27 15.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.84 -52.64 6.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.28 -52.87 62.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -42.9 -49.3 5.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.413 HD13 ' N ' ' A' ' 68' ' ' LEU . 16.6 mt -70.55 -54.91 16.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -43.72 -42.48 5.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.581 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -65.74 -46.37 79.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.1 m -55.06 -28.31 51.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.5 mt -78.27 -42.72 30.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.406 ' O ' ' CG2' ' A' ' 92' ' ' VAL . 98.6 mmm -68.07 -8.34 37.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 68.8 t -79.13 -60.14 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -95.75 -69.61 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.421 ' ND1' HG22 ' A' ' 61' ' ' VAL . 6.5 m-70 -77.8 64.65 3.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.599 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 88' ' ' MET . 2.0 p -91.72 -30.71 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -83.9 -19.22 35.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -81.95 -61.59 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.507 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 24.0 m -55.24 -40.27 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 66.5 p -45.79 163.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.9 tt0 84.62 -0.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.507 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 69.0 p-90 -165.51 -44.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 108.062 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' TRP . 29.8 tpp -36.35 -36.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.467 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 27.5 m -48.95 -50.16 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -59.2 -61.79 6.92 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.5 t -48.97 -52.12 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 0.743 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.23 -54.74 4.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.424 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -60.01 -47.93 83.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.46 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -40.88 -57.93 1.83 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 65.3 mt -41.12 -66.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.66 -54.16 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -53.08 -64.06 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.469 ' HD3' ' CB ' ' A' ' 25' ' ' ALA . 4.9 mmmt -42.66 -59.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.42 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 11.4 tttm -52.79 -47.76 67.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.81 -51.28 40.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.502 HD21 ' CG ' ' A' ' 32' ' ' HIS . 45.8 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -105.34 141.88 36.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.409 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 8.7 tt -59.96 -39.15 79.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.37 -9.21 39.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.93 -22.76 15.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.569 HG22 ' CH2' ' A' ' 52' ' ' TRP . 57.5 t -96.16 -22.21 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.55 -36.41 13.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 2.2 mmt180 -44.41 -51.22 20.74 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.3 Cg_endo -75.0 -52.32 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.412 HD12 ' CD2' ' A' ' 48' ' ' LEU . 13.6 mt -48.13 -38.97 19.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.06 -40.69 64.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 6.4 mm-40 -53.69 -25.4 18.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.433 ' HB2' ' CD2' ' A' ' 105' ' ' LEU . . . -76.9 -51.96 10.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' CYS . 27.0 tp -43.64 -66.74 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.84 -48.64 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -43.01 73.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LEU . 59.9 m -65.74 -44.52 85.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -54.23 -20.91 7.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.637 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.18 22.3 25.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.519 ' CG ' HD23 ' A' ' 112' ' ' LEU . 44.2 m-70 -156.96 -70.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 109.643 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.523 HG23 ' CG2' ' A' ' 37' ' ' VAL . 6.6 m -58.09 156.01 10.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.421 ' N ' HG11 ' A' ' 37' ' ' VAL . 1.7 mmpt? -55.47 -166.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -92.37 -66.71 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -42.38 -42.46 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.523 ' CG2' HG23 ' A' ' 33' ' ' THR . 5.6 p -58.17 -57.37 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.63 -53.36 58.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 108.269 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -45.29 -31.04 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.66 -64.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.474 ' CD1' ' OE1' ' A' ' 108' ' ' GLU . 39.2 mt -45.81 -59.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 p -46.38 -48.91 18.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -35.39 61.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.464 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 19.1 mmt180 -74.78 -33.53 62.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -62.91 -58.1 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.03 -41.71 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 97' ' ' GLN . 1.3 tt -69.09 -54.14 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.518 ' HB2' ' CE3' ' A' ' 98' ' ' TRP . 7.2 tp -40.6 -44.85 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -67.99 -49.14 63.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 54' ' ' GLY . 38.3 mt-10 -55.6 -50.21 70.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -66.07 -37.69 86.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.595 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 1.8 t-105 -65.61 -63.59 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -58.14 -56.33 23.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -35.99 -37.71 0.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.75 4.39 48.85 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.403 ' O ' ' CD ' ' A' ' 94' ' ' GLU . 2.0 mmmt -66.23 -23.28 66.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.0 mt -82.62 145.96 29.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.539 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 15.3 p -81.04 157.45 25.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.613 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.3 mt -59.4 -45.56 98.97 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.04 -3.46 13.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.657 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.0 t -90.99 -26.56 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.595 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 4.5 mttt -86.54 -41.47 14.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -35.97 80.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -72.8 -43.62 62.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -53.98 -58.61 6.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.28 -37.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mt -58.04 -62.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -48.67 -39.74 25.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.452 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 42.4 t -62.49 -64.34 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' VAL . 33.9 mm-40 -37.98 -39.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.475 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 8.7 mm-40 -69.95 -52.72 22.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tt -52.54 -23.79 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.4 mt -73.86 -47.84 35.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 13.2 m170 -77.08 -2.04 32.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.6 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 74' ' ' HIS . 1.4 m170 88.62 -5.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.26 80.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.51 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.1 m95 -74.87 -32.73 61.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 108.01 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -60.71 -37.28 81.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.475 ' HB2' ' CG ' ' A' ' 71' ' ' GLU . . . -74.22 -49.84 21.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.73 -49.77 27.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.92 -38.97 80.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -57.83 -60.61 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.1 mt -59.92 -37.47 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.65 -42.34 92.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.602 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.496 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 22.9 mmt180 -60.35 -53.14 61.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -53.29 -45.39 68.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 110.031 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 mt -64.34 -37.45 87.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.5 ' O ' ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -80.32 -8.85 59.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 85' ' ' ARG . 78.6 t -87.01 -43.36 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -95.4 -69.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.657 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 1.9 m-70 -90.25 66.16 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 88' ' ' MET . 1.5 p -78.83 -18.68 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.433 ' O ' ' CB ' ' A' ' 96' ' ' SER . 40.2 p -89.44 -60.29 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 56' ' ' LYS . 5.9 mm-40 -43.55 -55.25 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.576 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 14.6 m -60.21 -32.72 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.463 ' O ' ' CD1' ' A' ' 98' ' ' TRP . 1.4 p -54.01 172.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.474 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 2.3 mt-30 73.31 7.59 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.576 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 64.7 p-90 -171.74 -42.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.507 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -36.51 -48.96 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.971 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.464 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 29.0 m -40.0 -46.28 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -59.42 -64.88 3.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.485 HG22 ' CE3' ' A' ' 98' ' ' TRP . 88.5 t -40.65 -54.19 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -44.67 -51.3 9.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -64.15 -55.15 23.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.456 ' CD1' HG23 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -42.59 -49.84 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.0 mt -46.33 -67.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.25 -47.91 46.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.474 ' OE1' ' CD1' ' A' ' 41' ' ' ILE . 23.7 mt-10 -51.48 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.502 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 22.4 mmmt -40.94 -54.04 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.491 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 74.9 tttt -51.52 -49.08 62.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.94 -49.27 15.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.519 HD23 ' CG ' ' A' ' 32' ' ' HIS . 35.1 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.536 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 2.0 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.456 -0.201 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mt -107.39 149.0 28.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.573 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 16.5 tt -56.57 -48.85 79.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 47.1 mt-10 -65.46 -10.13 31.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.23 -23.08 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.585 HG21 ' CH2' ' A' ' 52' ' ' TRP . 99.8 t -96.03 -22.63 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.02 -34.1 13.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.541 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 1.1 mmt85 -45.45 -49.14 34.88 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.2 Cg_endo -75.02 -59.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.465 ' CD1' ' HE2' ' A' ' 65' ' ' MET . 21.2 mt -45.17 -33.96 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -68.01 -55.2 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.489 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -46.6 -24.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.489 ' N ' ' HG3' ' A' ' 24' ' ' GLN . . . -74.55 -58.12 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 42' ' ' SER . 33.2 tp -42.3 -65.91 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' OE2' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -46.29 -42.85 15.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.453 ' N ' ' OE2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -64.03 -37.77 88.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.7 m -69.74 -48.86 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.306 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -48.72 -35.15 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.543 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.43 36.23 4.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -167.29 -76.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.603 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -60.9 153.58 24.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -48.51 172.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.62 -61.6 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -41.79 -39.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.03 -56.55 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -52.36 -51.01 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.352 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -49.08 -42.8 40.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.32 -63.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.8 mt -41.95 -65.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.47 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 78.8 p -43.74 -55.59 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -35.81 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.47 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 20.6 mmt-85 -74.39 -49.94 20.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.2 mt -48.46 -51.08 28.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.34 -30.71 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 50' ' ' GLU . 4.4 tt -79.24 -61.63 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.544 HD23 ' CZ3' ' A' ' 98' ' ' TRP . 14.6 tp -40.92 -35.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -74.28 -45.41 47.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.6 pt-20 -64.33 -39.75 94.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.454 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 56.5 mt-30 -71.63 -36.95 70.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.612 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.1 t90 -67.12 -56.05 11.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -66.52 -57.25 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.08 -33.65 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 93.86 28.87 10.44 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -96.46 -12.24 24.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 0.733 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 52' ' ' TRP . 94.6 mt -88.58 144.56 26.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.534 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -83.76 152.36 24.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.973 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.9 mt -56.77 -45.24 99.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.02 -5.07 16.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.484 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 1.0 OUTLIER -91.11 -17.97 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.612 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -93.93 -50.55 5.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -28.77 52.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.86 -37.27 27.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.465 ' HE2' ' CD1' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -61.76 -60.54 3.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -38.8 -35.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 mt -53.22 -63.24 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.81 -42.07 46.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.448 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 41.4 t -60.82 -63.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' VAL . 67.5 mm-40 -37.73 -37.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 79' ' ' ALA . 7.9 mm-40 -71.44 -51.23 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 69' ' ' VAL . 2.0 tt -52.48 -21.39 3.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.5 mt -76.47 -47.8 21.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.491 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 7.8 m170 -78.0 -1.95 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.535 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.7 m170 86.44 -2.17 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.598 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -65.69 72.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.535 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -67.86 -37.21 81.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 108.012 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.27 -32.15 64.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.464 ' HB3' ' CG ' ' A' ' 71' ' ' GLU . . . -80.75 -49.21 11.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.57 -49.3 5.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -64.84 -42.43 94.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.29 -58.21 5.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.1 mt -63.31 -50.26 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.474 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -44.8 -50.54 10.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.604 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 88' ' ' MET . 23.7 mmt180 -55.29 -63.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.8 m -46.53 -36.54 6.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mt -71.96 -35.73 69.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 85' ' ' ARG . 11.5 ttm -81.16 -9.25 59.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.2 t -76.69 -53.52 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -95.38 -68.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.484 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 33.0 m-70 -75.58 62.2 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.573 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.7 p -88.37 -25.99 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -87.06 -9.65 54.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.401 ' OE1' ' OG ' ' A' ' 58' ' ' SER . 8.5 mt-10 -97.61 -61.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.356 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.541 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 11.6 m -55.93 -43.59 75.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 28.9 p -46.04 160.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.499 ' CB ' ' O ' ' A' ' 96' ' ' SER . 4.6 tt0 86.53 0.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.544 ' CZ3' HD23 ' A' ' 48' ' ' LEU . 69.4 p-90 -166.15 -43.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -34.84 -42.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.461 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 24.9 m -44.22 -50.25 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -54.91 -58.53 13.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 92.7 t -47.92 -53.35 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -42.02 -49.13 4.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -70.41 -50.48 38.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -40.77 -52.53 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 34.1 mt -46.13 -70.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -44.94 -50.11 10.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -51.93 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.254 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.453 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 8.7 mmmt -46.43 -47.54 19.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.511 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 15.9 tttp -51.37 -46.96 62.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.48 -63.16 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.456 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 2.8 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mt -104.22 157.74 16.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.566 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 20.5 tt -60.71 -57.48 11.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.485 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 33.3 mt-10 -60.14 -14.64 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.29 -36.36 34.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.565 HG23 ' CH2' ' A' ' 52' ' ' TRP . 59.3 t -89.21 -15.1 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.06 -43.23 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.486 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -39.33 -52.18 4.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.496 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 18.1 Cg_endo -75.06 -57.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.415 HD12 ' CE ' ' A' ' 65' ' ' MET . 9.7 mt -44.24 -33.86 1.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -78.68 -40.77 32.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.654 ' NE2' ' HZ2' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -49.41 -23.56 1.56 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 110.249 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.475 ' N ' ' HG3' ' A' ' 24' ' ' GLN . . . -78.19 -54.8 5.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' HIS . 14.9 tp -44.49 -58.06 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -48.98 -49.6 39.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -35.31 75.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' THR . 51.5 m -75.25 -27.67 59.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.286 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -67.66 -10.23 50.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.593 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 32' ' ' HIS . . . -127.16 29.92 4.22 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 31' ' ' GLY . 63.6 m-70 -162.22 -44.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 109.572 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.511 HG23 ' CG2' ' A' ' 37' ' ' VAL . 25.3 m -86.74 148.47 25.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.352 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.405 ' O ' ' CG1' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -51.62 -178.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -83.08 -65.35 1.02 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' LYS . 6.5 mp0 -37.85 -52.63 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.511 ' CG2' HG23 ' A' ' 33' ' ' THR . 2.4 p -47.08 -62.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.425 ' SG ' ' CD1' ' A' ' 26' ' ' LEU . 48.7 t -43.58 -63.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 38' ' ' CYS . 8.0 t70 -39.97 -35.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 37' ' ' VAL . 7.6 t70 -73.35 -65.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.8 mt -47.77 -60.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.9 p -46.88 -55.51 7.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.986 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.15 -37.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.479 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 22.6 mmt-85 -72.25 -48.73 40.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.5 mt -50.98 -53.32 34.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.28 -40.42 2.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.466 ' CD1' ' OE1' ' A' ' 97' ' ' GLN . 3.8 tt -73.68 -50.93 18.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.521 HD11 ' CH2' ' A' ' 98' ' ' TRP . 13.7 tp -42.1 -53.35 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -61.47 -50.81 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -53.04 -47.74 68.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.459 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 1.2 mt-30 -65.83 -37.72 86.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.606 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.3 t-105 -65.48 -62.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -59.12 -58.81 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.49 -35.76 0.13 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.45 29.08 9.73 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.46 -15.81 23.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.8 mt -83.18 151.3 25.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.533 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 10.9 p -87.23 156.92 19.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.0 mt -60.46 -45.15 97.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.01 -3.21 13.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.518 HG22 ' CG ' ' A' ' 91' ' ' HIS . 2.0 t -91.36 -22.98 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.606 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 7.8 mttt -91.6 -41.97 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.428 ' NZ ' ' HB ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -62.68 -34.63 77.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -75.11 -42.66 56.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' ' 66' ' ' ALA . 22.0 mmm -55.51 -60.38 3.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -38.71 -36.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.412 ' N ' HD22 ' A' ' 67' ' ' LEU . 7.4 mt -57.8 -62.5 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.429 ' CD1' ' HB2' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -51.52 -40.02 58.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.456 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 38.2 t -61.02 -63.58 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -40.17 -42.44 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.468 ' CG ' ' HB3' ' A' ' 79' ' ' ALA . 10.2 mm-40 -65.77 -54.74 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tt -50.93 -31.27 17.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' A' ' 21' ' ' PRO . 91.1 mt -66.78 -43.79 83.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 6.3 m170 -82.37 -1.81 51.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.61 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.484 ' CB ' ' O ' ' A' ' 74' ' ' HIS . 2.6 m170 85.94 -1.07 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.624 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -66.13 71.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.443 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 1.5 m95 -63.56 -48.78 76.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 107.972 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -45.26 -43.24 10.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HB3' ' CG ' ' A' ' 71' ' ' GLU . . . -70.97 -50.54 33.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -44.56 -49.97 9.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.2 -42.16 99.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.5 -57.31 8.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.4 mt -63.98 -48.44 86.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.429 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -48.15 -39.18 19.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.562 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -66.61 -55.13 16.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.8 m -47.22 -34.32 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 91' ' ' HIS . 6.1 mt -74.42 -42.88 58.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.402 ' HG3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -66.3 -8.5 25.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 56.6 t -80.18 -62.86 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.6 -70.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.518 ' CG ' HG22 ' A' ' 61' ' ' VAL . 15.3 m-70 -77.26 61.22 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 93' ' ' THR . 5.9 p -84.3 -51.76 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.479 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -65.53 -35.65 81.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -59.89 -46.63 88.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 19.3 m -79.24 -25.19 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.405 ' O ' ' CD1' ' A' ' 98' ' ' TRP . 10.8 p -54.53 174.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.024 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.466 ' OE1' ' CD1' ' A' ' 47' ' ' LEU . 0.1 OUTLIER 73.04 1.2 3.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.569 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.8 p-90 -165.69 -43.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 107.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.407 ' O ' ' SD ' ' A' ' 99' ' ' MET . 25.1 tpp -37.4 -33.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 27.1 m -53.29 -47.49 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.64 -62.71 6.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 74.2 t -40.79 -48.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -48.93 -49.79 38.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 101' ' ' GLY . 18.8 tpp180 -66.92 -47.29 72.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.463 HD23 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -45.96 -50.88 14.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.1 mt -49.26 -63.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.12 -63.26 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -47.1 -59.84 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.654 ' HZ2' ' NE2' ' A' ' 24' ' ' GLN . 26.9 mmmt -45.03 -58.81 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.443 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 3.2 tttt -50.65 -49.03 58.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -51.4 64.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 32' ' ' HIS . 47.0 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 p -150.87 -58.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 0.0 109.974 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 48.37 84.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.75 -84.61 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.25 86.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.792 . . . . 0.0 110.006 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -142.49 134.36 27.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.75 150.97 23.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 p -153.61 126.29 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.1 mt -133.16 81.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -143.85 161.82 37.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -82.09 120.48 25.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -159.26 159.88 34.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m 58.19 156.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mt -136.06 148.34 48.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.4 tt -56.83 -44.23 81.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.97 -7.71 48.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.33 -32.08 15.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.543 HG22 ' CH2' ' A' ' 52' ' ' TRP . 40.6 t -92.9 -18.64 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -91.07 -39.27 12.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.492 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -40.41 -51.89 6.21 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.3 Cg_endo -75.03 -58.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.468 HD11 ' CE ' ' A' ' 65' ' ' MET . 12.4 mt -44.58 -33.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' LEU . 24.6 mt-10 -82.02 -43.24 18.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -55.65 -27.28 48.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.465 ' HB2' ' CD ' ' A' ' 109' ' ' LYS . . . -73.3 -55.72 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.452 HD23 ' CB ' ' A' ' 42' ' ' SER . 29.7 tp -40.25 -66.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -39.68 -43.31 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -49.81 76.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' LEU . 67.3 m -64.66 -45.66 85.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 108.324 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -43.95 -36.0 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 32' ' ' HIS . . . -104.06 43.2 1.72 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.503 ' CG ' HD21 ' A' ' 112' ' ' LEU . 21.9 m-70 -168.8 -67.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.59 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.9 m -69.52 157.69 36.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.11 154.86 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -24.95 61.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -77.31 -49.98 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.0 t -63.26 -42.8 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.5 t -66.62 -42.1 87.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 108.292 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -57.76 -41.61 82.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -59.28 -55.6 32.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.3 mt -50.89 -62.03 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.452 ' CB ' HD23 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -40.73 -59.11 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.58 -43.56 5.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 40.8 mmt-85 -64.42 -40.91 96.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.8 mt -55.0 -56.09 23.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.04 -43.0 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.441 ' CD1' ' O ' ' A' ' 97' ' ' GLN . 1.2 tt -66.3 -55.69 14.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.445 HD11 ' CZ2' ' A' ' 98' ' ' TRP . 17.7 tp -41.56 -55.65 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -57.23 -53.95 52.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' GLY . 46.3 mm-40 -52.55 -53.14 50.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -63.71 -36.34 83.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.6 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.1 t90 -66.52 -64.15 0.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 108.026 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -56.81 -57.68 11.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.95 -43.93 0.92 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.44 19.98 10.02 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.59 -10.84 58.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.463 HD13 ' CA ' ' A' ' 52' ' ' TRP . 54.4 mt -94.56 150.96 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.544 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -84.84 159.23 20.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.017 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.6 mt -62.3 -44.8 89.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.06 -5.17 16.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.54 ' CG2' ' ND1' ' A' ' 91' ' ' HIS . 2.2 t -90.69 -17.7 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.6 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -94.06 -50.41 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -29.96 59.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -75.62 -42.26 52.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.468 ' CE ' HD11 ' A' ' 22' ' ' LEU . 20.0 mmm -57.81 -57.08 14.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.47 -41.95 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mt -51.17 -65.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.45 ' CD1' ' HB2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -48.44 -42.31 31.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.453 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 54.2 t -60.49 -63.59 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -39.46 -41.33 0.96 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.468 ' CG ' ' HB3' ' A' ' 79' ' ' ALA . 9.6 mm-40 -66.64 -54.22 25.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tt -50.02 -29.01 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.17 -47.08 63.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.465 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 1.5 m170 -78.15 -1.95 35.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.581 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.495 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 4.3 m170 84.71 0.13 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 0.0 109.602 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -67.66 67.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.1 m95 -60.53 -44.57 95.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 107.992 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.79 -40.33 28.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HB3' ' CG ' ' A' ' 71' ' ' GLU . . . -73.09 -50.28 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.68 -54.11 3.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -60.0 -38.97 84.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 79' ' ' ALA . 4.1 t0 -54.4 -64.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.5 mt -57.64 -40.27 74.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.45 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -58.02 -38.13 75.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.9 mmt85 -66.71 -50.5 62.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.2 p -52.06 -35.67 48.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.447 ' CD2' ' HB2' ' A' ' 91' ' ' HIS . 5.2 mt -73.39 -40.02 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -8.91 49.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 71.4 t -79.34 -60.54 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -95.69 -69.29 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.54 ' ND1' ' CG2' ' A' ' 61' ' ' VAL . 25.1 m-70 -77.63 62.4 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.612 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.65 -44.73 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.62 -47.74 58.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.387 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.404 ' OE2' ' OG ' ' A' ' 58' ' ' SER . 15.7 mt-10 -47.58 -56.39 7.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 17.3 m -63.55 -34.01 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 p -51.57 172.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.441 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 2.7 mt-30 73.47 3.58 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.567 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.4 p-90 -168.73 -43.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.42 ' CE ' ' HB ' ' A' ' 95' ' ' VAL . 31.8 tpp -36.78 -51.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.459 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 30.4 m -39.62 -45.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.19 -53.43 44.79 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.2 t -57.09 -53.06 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -40.14 -41.99 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 0.3 OUTLIER -73.55 -50.42 21.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.465 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -43.18 -57.69 2.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.1 mt -41.04 -68.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.07 -54.09 4.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -51.19 -68.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.339 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.465 ' CD ' ' HB2' ' A' ' 25' ' ' ALA . 2.0 mmmt -43.32 -47.57 6.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -54.93 -58.23 8.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.58 -54.87 7.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.503 HD21 ' CG ' ' A' ' 32' ' ' HIS . 1.2 mt -42.77 -52.53 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 t -42.97 -63.04 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.972 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 177.98 -67.24 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 158.31 42.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 29.0 t -139.02 149.51 44.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.061 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.5 m 63.25 136.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.968 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.128 . . . . 0.0 110.947 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -123.91 -59.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m 62.71 168.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.974 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.45 174.15 38.91 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 p -150.57 117.76 5.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -148.63 131.17 15.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.979 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' O ' ' CG2' ' A' ' 8' ' ' VAL . . . -131.59 174.1 20.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.45 1.094 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 7' ' ' GLY . 44.2 t -157.07 111.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.4 mm -119.21 143.67 29.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -161.93 -77.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.9 p 55.8 93.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -174.11 39.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.0 m -121.58 140.22 52.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.8 mt -114.13 150.25 34.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.8 tt -59.08 -42.01 85.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.94 -6.9 48.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.6 -29.2 15.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.568 HG22 ' CZ2' ' A' ' 52' ' ' TRP . 44.8 t -93.7 -20.5 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.57 -34.58 13.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.509 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 1.6 mmt180 -44.74 -50.97 23.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.3 Cg_endo -75.01 -52.33 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.7 mt -45.9 -38.29 7.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -71.11 -49.62 42.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -46.45 -44.12 17.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.483 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -64.28 -47.49 79.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 42' ' ' SER . 29.1 tp -50.02 -69.02 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -47.56 -48.97 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.87 -27.17 66.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' ALA . 1.3 m -81.32 -42.78 20.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -45.16 -42.69 9.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.65 -44.8 56.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.637 ' CD2' ' CD2' ' A' ' 112' ' ' LEU . 65.0 m-70 -87.49 -86.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' CYS . 6.1 m -39.95 140.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.355 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.76 172.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -80.93 -54.26 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -48.62 -41.92 32.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.8 t -67.14 -57.14 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.44 -52.64 44.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 108.264 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -48.2 -39.97 22.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.85 -52.41 37.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.9 mt -55.28 -58.98 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.462 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -48.71 -40.83 29.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.051 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -35.43 66.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 18.4 mmt-85 -73.33 -47.57 41.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.9 mt -46.54 -52.15 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.57 -45.3 6.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 tt -69.2 -50.21 49.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.429 ' HB2' ' CE3' ' A' ' 98' ' ' TRP . 10.0 tp -47.99 -49.85 29.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 52' ' ' TRP . 6.5 ttp180 -62.65 -63.17 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -40.27 -55.54 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -58.25 -37.13 74.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.589 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.3 t-105 -65.01 -64.6 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 107.994 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -54.17 -59.85 4.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -37.95 -31.72 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 89.54 29.93 15.05 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -90.48 -21.34 21.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.426 ' CD1' ' HA ' ' A' ' 52' ' ' TRP . 75.2 mt -77.84 146.4 35.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.533 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -79.54 154.49 28.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 3.8 mt -59.07 -45.01 99.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -75.05 -4.3 15.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.645 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.2 t -90.93 -28.04 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.589 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 6.8 mttt -84.52 -40.12 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -38.16 87.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -70.22 -36.78 74.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -63.58 -57.69 9.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.983 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.76 -40.3 0.92 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.419 ' N ' HD22 ' A' ' 67' ' ' LEU . 5.7 mt -53.37 -64.59 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.438 ' CD1' ' HB2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -48.63 -43.59 36.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.458 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 44.0 t -58.94 -61.24 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -41.8 -40.36 2.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 0.0 110.338 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.462 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 8.3 mm-40 -67.26 -53.1 33.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tt -52.87 -25.99 13.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 21' ' ' PRO . 82.6 mt -72.05 -41.01 67.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.497 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 1.1 m170 -85.42 -2.1 57.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.608 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.499 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.8 m170 86.95 -1.25 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.607 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -67.11 70.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.267 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.499 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -63.96 -43.61 95.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.026 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -37.91 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.462 ' HB1' ' CG ' ' A' ' 71' ' ' GLU . . . -75.78 -50.19 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.51 -54.17 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.74 -53.76 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -40.34 -58.98 1.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.9 mt -63.11 -52.27 61.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.557 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -43.2 -50.08 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.576 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -57.73 -54.38 47.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.7 m -53.39 -26.35 19.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 mt -82.3 -36.41 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.447 ' O ' ' CG ' ' A' ' 88' ' ' MET . 11.8 ttm -81.4 -9.93 59.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 79.7 t -77.34 -53.16 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -95.53 -68.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.645 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 31.5 m-70 -76.76 60.0 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.56 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' A' ' 96' ' ' SER . 3.1 p -82.42 -47.37 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.442 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -66.57 -16.08 63.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.407 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -90.31 -61.61 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.56 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 26.1 m -58.73 -38.35 71.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 58.8 p -51.66 161.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 96' ' ' SER . 4.7 tt0 85.9 1.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.56 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.6 p-90 -166.45 -43.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 107.986 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 98' ' ' TRP . 0.4 OUTLIER -35.34 -43.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.45 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 28.6 m -43.49 -48.57 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.55 -59.49 10.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.128 . . . . 0.0 110.973 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 79.7 t -43.17 -50.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -47.26 -54.71 10.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -59.0 -52.64 64.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.483 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.8 OUTLIER -42.43 -51.38 4.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 27.9 mt -49.8 -66.55 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -42.86 -62.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -49.19 -61.15 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.461 ' HA ' ' CD1' ' A' ' 112' ' ' LEU . 25.2 mmmt -42.99 -47.25 5.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -59.45 -47.09 86.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.85 -55.0 5.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.637 ' CD2' ' CD2' ' A' ' 32' ' ' HIS . 1.4 mp -40.44 -65.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.92 -65.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 105.78 -95.13 1.04 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.3 10.56 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.97 -58.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 57.77 91.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -112.54 122.11 46.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.9 169.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.042 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.71 -149.62 6.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -89.79 107.2 18.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.756 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m 56.16 170.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.97 -91.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.6 t -142.67 65.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.2 mt -111.06 131.91 60.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -127.95 109.27 11.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 t -164.12 -55.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.63 163.9 27.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.477 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 1.3 m -140.13 141.17 36.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.43 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mt -103.95 143.48 32.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.56 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 19.9 tt -53.35 -50.27 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 63.3 mt-10 -61.25 -26.89 68.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.349 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.28 -26.67 60.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.572 HG21 ' CH2' ' A' ' 52' ' ' TRP . 91.5 t -94.93 -19.78 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.52 -33.17 14.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.508 ' CD ' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -45.72 -51.52 28.86 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.4 Cg_endo -75.02 -53.97 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.475 HD13 ' CD2' ' A' ' 48' ' ' LEU . 18.5 mt -45.41 -37.93 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -74.28 -44.35 53.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -50.74 -41.68 56.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.469 ' CB ' ' HD3' ' A' ' 109' ' ' LYS . . . -63.23 -48.89 76.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.408 ' CD2' ' HB3' ' A' ' 42' ' ' SER . 16.0 tp -48.02 -51.41 24.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.87 -47.12 8.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 32' ' ' HIS . 27.1 m-20 -64.82 -52.62 55.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.447 ' SG ' ' CG2' ' A' ' 33' ' ' THR . 2.1 t -53.81 -36.69 62.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 108.255 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -25.11 64.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.611 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.04 26.91 7.67 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' ASP . 85.5 m-70 -153.01 -78.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.648 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.447 ' CG2' ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -59.47 156.34 13.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -50.87 147.03 5.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -60.99 -46.88 88.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -46.37 -55.28 7.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.9 t -58.99 -40.72 81.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.1 t -59.11 -58.7 7.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.3 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -51.2 -25.73 5.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -81.08 -58.99 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.5 mt -46.92 -62.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.408 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 14.1 p -45.61 -52.42 10.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.54 -36.66 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 6.4 mmt180 -71.78 -49.15 41.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.1 mt -48.61 -53.26 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.95 -37.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.525 ' CD1' ' NE2' ' A' ' 97' ' ' GLN . 3.3 tt -78.99 -56.34 4.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.571 ' HB2' ' CE3' ' A' ' 98' ' ' TRP . 4.3 tp -42.13 -53.38 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -59.26 -58.17 9.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -47.11 -53.89 11.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.66 -36.94 74.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.59 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.3 t-105 -63.71 -61.96 1.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 108.001 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -57.51 -59.85 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.57 -32.23 0.05 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 88.78 29.44 18.37 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.404 ' O ' ' OE2' ' A' ' 94' ' ' GLU . 1.8 mmmt -87.68 -27.47 22.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.401 HD13 ' CA ' ' A' ' 52' ' ' TRP . 55.6 mt -73.03 159.43 33.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.552 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -91.9 153.56 19.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.2 mt -56.94 -45.08 99.99 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.0 -3.79 14.44 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.534 1.807 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.633 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 1.5 t -91.34 -30.43 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.59 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 4.4 mttp -81.56 -39.76 24.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -39.78 94.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -70.0 -30.5 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -67.08 -61.54 1.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.75 -41.25 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.1 mt -52.45 -65.5 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 84' ' ' HIS . 0.7 OUTLIER -48.05 -45.54 32.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.472 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 43.8 t -58.4 -62.39 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -39.23 -41.99 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 9.7 mm-40 -65.57 -54.82 22.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 tt -50.21 -30.37 11.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' A' ' 21' ' ' PRO . 92.3 mt -68.99 -45.22 71.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.456 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 8.3 m170 -79.98 -2.02 42.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.625 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.497 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.4 m170 85.08 -0.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.578 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -67.87 66.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.497 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -59.74 -44.57 93.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 107.988 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.68 -44.77 38.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.467 ' HB2' ' CG ' ' A' ' 71' ' ' GLU . . . -67.15 -52.06 46.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.33 -54.26 3.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.58 -58.78 5.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.74 -65.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.4 HD11 ' N ' ' A' ' 68' ' ' LEU . 11.6 mt -52.4 -51.49 32.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.465 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -42.36 -58.65 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 89' ' ' VAL . 21.1 mmt85 -48.9 -55.95 10.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.9 m -41.85 -42.68 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.027 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 mt -71.7 -46.24 59.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.437 ' HG3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -67.91 -8.42 36.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 85' ' ' ARG . 76.5 t -81.15 -59.17 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -95.57 -69.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.633 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 19.4 m-70 -77.64 62.03 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.58 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 93' ' ' THR . 4.9 p -85.7 -51.05 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.462 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -64.64 -26.67 68.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 56' ' ' LYS . 5.1 mm-40 -74.84 -50.54 16.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 23.6 m -70.39 -29.97 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.8 p -53.54 171.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.525 ' NE2' ' CD1' ' A' ' 47' ' ' LEU . 0.3 OUTLIER 76.36 -0.23 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.571 ' CE3' ' HB2' ' A' ' 48' ' ' LEU . 67.8 p-90 -164.0 -44.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.05 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.495 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -35.19 -35.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 31.1 m -51.57 -51.64 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -54.62 -60.57 8.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 95.0 t -48.39 -56.31 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.767 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -40.38 -54.93 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -46.36 85.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.465 HD22 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -43.64 -54.4 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 26.2 mt -45.73 -61.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -46.22 -56.54 5.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -49.7 -65.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.469 ' HD3' ' CB ' ' A' ' 25' ' ' ALA . 7.0 mmmt -42.33 -53.13 4.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -57.83 -48.49 79.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.59 -55.65 15.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.973 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.3 mt -40.82 -59.88 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.4 t -52.73 -62.6 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.028 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 64.98 82.0 0.11 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.42 4.58 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.4 m 61.59 125.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.0 m -55.97 136.27 51.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.945 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 0.0 111.025 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.45 139.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.784 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 m -148.56 160.7 42.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.57 -173.63 14.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.11 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 t -178.38 111.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -169.11 98.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.98 138.03 13.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 p -146.98 147.99 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 mt 62.36 141.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -132.54 122.41 24.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 p -174.91 156.47 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.04 166.49 10.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.468 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 1.1 m -128.37 144.85 51.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.436 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mt -100.73 146.52 27.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.519 HD12 ' CD1' ' A' ' 52' ' ' TRP . 15.9 tt -58.91 -55.21 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -54.07 -31.07 50.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -30.18 66.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.504 HG22 ' CH2' ' A' ' 52' ' ' TRP . 59.3 t -91.8 -19.04 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -89.98 -39.5 12.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -37.83 -52.79 2.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.3 Cg_endo -74.96 -58.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' A' ' 48' ' ' LEU . 10.7 mt -45.17 -26.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' LEU . 11.2 mt-10 -88.9 -45.36 9.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -60.14 -37.63 80.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.19 82.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' CYS . 28.2 tp -54.29 -63.46 1.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.9 mt-10 -37.67 -33.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -72.08 -54.64 9.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' LEU . 13.9 p -58.56 -39.24 79.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 108.323 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -54.37 -35.96 63.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.615 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.55 32.54 6.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.465 ' CB ' HD21 ' A' ' 112' ' ' LEU . 23.5 m-70 -159.15 -74.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.566 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.1 m -62.21 156.72 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -51.04 151.72 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -50.71 63.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.13 -43.5 7.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.97 -56.17 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.2 t -52.26 -53.6 41.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.286 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -21.98 4.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -85.33 -56.66 3.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.7 mt -53.37 -51.63 39.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.4 p -51.58 -48.8 63.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.032 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.71 -30.56 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.448 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 2.6 mmt180 -78.48 -46.77 18.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.5 mt -50.46 -49.94 53.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.69 -37.44 41.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.401 ' CD2' ' HG3' ' A' ' 51' ' ' GLN . 2.4 tt -75.86 -49.59 17.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.551 HD23 ' CZ3' ' A' ' 98' ' ' TRP . 1.3 tp -47.35 -59.28 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' TRP . 1.7 ttt180 -55.14 -64.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -40.28 -50.71 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 1.1 mt-30 -64.02 -38.18 90.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.353 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.587 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 1.9 t90 -64.25 -61.2 2.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 108.006 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.99 -56.56 20.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.56 -32.37 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.28 16.56 43.19 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.39 -18.32 49.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.5 mt -85.11 144.03 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.509 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -75.18 160.7 30.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 3.5 mt -67.61 -44.55 44.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.01 -5.58 16.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.637 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.4 t -89.82 -19.59 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.587 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -93.74 -46.22 7.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.472 ' CE ' HG23 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -55.87 -32.89 64.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.451 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -76.44 -40.43 50.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.433 ' CE ' HD12 ' A' ' 22' ' ' LEU . 25.1 mmm -56.05 -58.8 6.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.36 -45.48 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.9 mt -53.56 -69.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.515 ' C ' ' CD2' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -42.06 -41.51 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 67.6 t -63.65 -53.11 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -50.31 -26.25 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 76' ' ' GLN . 6.3 mm-40 -80.32 -40.02 27.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.96 -19.63 65.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.1 mt -79.45 -42.96 24.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.537 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 14.3 m-70 -80.64 -1.86 44.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.537 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 2.7 m170 89.9 -7.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' GLU . 22.1 mm-40 -64.62 84.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.488 ' CE2' ' O ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER -79.37 -34.85 41.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 108.051 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -47.91 84.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 82' ' ' ASP . . . -61.43 -54.18 46.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.07 -47.75 33.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -62.18 -28.06 69.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 79' ' ' ALA . 5.0 t0 -70.77 -47.43 59.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.8 mt -70.94 -42.2 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.571 ' CE1' ' HD2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -49.64 -61.67 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.606 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -46.69 -57.49 4.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.4 p -48.77 -27.08 2.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' A' ' 64' ' ' ARG . 6.3 mt -83.86 -34.18 24.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.459 ' O ' ' CG ' ' A' ' 88' ' ' MET . 12.2 ttm -84.9 -9.96 57.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' ARG . 59.8 t -77.85 -52.41 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -95.29 -69.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.637 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 41.4 m-70 -76.57 60.67 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.473 ' O ' ' CB ' ' A' ' 96' ' ' SER . 2.7 p -83.21 -47.56 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.451 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -65.16 -11.18 37.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.392 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -95.63 -61.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.535 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 27.0 m -60.22 -35.93 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 63.6 p -52.48 160.45 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.492 ' CB ' ' O ' ' A' ' 96' ' ' SER . 4.1 tt0 85.64 4.8 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.551 ' CZ3' HD23 ' A' ' 48' ' ' LEU . 67.6 p-90 -169.68 -43.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 107.972 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.433 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -36.47 -36.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.448 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 30.5 m -49.38 -49.77 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -56.5 -61.5 7.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 92.4 t -45.58 -51.09 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 0.757 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 84' ' ' HIS . 11.6 tttm -48.23 -42.1 29.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.3 tpp85 -73.94 -52.04 14.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.38 -53.11 3.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.8 mt -48.14 -58.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.65 -48.81 63.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -56.95 -58.61 7.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.442 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 15.7 mmmt -45.22 -59.97 2.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.467 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 15.7 tttp -48.89 -48.77 42.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.76 -47.21 67.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.465 HD21 ' CB ' ' A' ' 32' ' ' HIS . 92.1 mt -49.81 -59.54 3.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.4 t -41.15 -59.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.74 -90.2 0.52 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.2 t 63.51 140.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.1 t 73.36 -68.42 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -155.88 98.93 1.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.76 . . . . 0.0 109.999 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.6 p -147.62 146.53 29.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.5 -64.19 0.44 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t 72.24 -67.04 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.988 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 m 62.01 124.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.032 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.76 -166.75 22.51 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 p -170.15 125.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.7 tt -72.01 164.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -134.58 96.18 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.4 m -151.0 147.06 26.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.044 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.36 152.86 19.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.34 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.416 ' HB ' ' NZ ' ' A' ' 63' ' ' LYS . 24.1 m -106.39 133.89 50.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mt -107.33 130.17 54.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.528 HD12 ' CD1' ' A' ' 52' ' ' TRP . 17.8 tt -47.19 -54.34 2.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -51.16 -36.63 42.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.81 -26.62 62.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.575 HG23 ' CH2' ' A' ' 52' ' ' TRP . 50.4 t -88.35 -23.7 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' ILE . 0.7 OUTLIER -89.68 -38.15 14.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -38.26 -52.6 3.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.4 Cg_endo -75.01 -59.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.473 ' CD1' HD23 ' A' ' 48' ' ' LEU . 15.8 mt -44.52 -27.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 21' ' ' PRO . 16.3 mt-10 -88.87 -40.1 13.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' PRO . 5.2 pt20 -65.89 -28.91 69.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.435 ' HB2' ' CD ' ' A' ' 109' ' ' LYS . . . -71.72 -42.79 66.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.4 tp -52.69 -52.87 54.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -40.16 -44.21 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -50.91 72.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.3 -49.6 75.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 108.348 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -48.13 -32.48 6.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.645 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.46 48.02 0.98 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.472 ' CB ' HD21 ' A' ' 112' ' ' LEU . 8.9 t60 -170.94 -71.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.735 . . . . 0.0 109.616 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.97 151.99 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.362 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -40.64 159.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -49.0 20.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -45.15 -40.01 6.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 41' ' ' ILE . 76.9 t -67.39 -56.05 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 23.6 t -47.7 -59.91 2.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 108.329 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -47.23 -33.06 5.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.85 -67.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.459 HD11 ' CG1' ' A' ' 37' ' ' VAL . 8.8 mt -44.7 -54.61 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.2 p -49.23 -49.67 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.97 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -27.39 6.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.407 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 4.5 mmt180 -79.39 -47.2 16.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.2 mt -52.33 -52.14 54.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.72 -41.58 15.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tt -72.74 -50.9 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.473 HD23 ' CD1' ' A' ' 22' ' ' LEU . 4.1 tp -43.99 -56.5 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -52.53 65.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.92 -52.31 43.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -38.48 91.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.593 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 1.9 t90 -65.68 -67.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.33 -57.91 5.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.94 -25.28 0.92 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.8 13.42 69.68 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -69.53 -11.97 61.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 0.73 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.483 ' CD1' ' HA ' ' A' ' 52' ' ' TRP . 53.4 mt -91.83 157.51 16.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.548 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.3 m -89.06 162.9 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.027 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.6 mt -61.89 -45.92 92.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.98 -3.21 13.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.522 HG22 ' CG ' ' A' ' 91' ' ' HIS . 5.1 t -91.14 -29.55 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.593 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 4.8 mttt -83.79 -38.84 20.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' NZ ' ' HB ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -64.02 -38.7 92.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.441 ' O ' ' CG2' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -75.12 -21.74 58.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.459 ' HE3' ' CD1' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -74.97 -55.39 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.18 -36.85 52.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.1 mt -56.02 -65.41 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -46.43 -41.04 13.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 65.7 t -62.22 -58.15 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -44.78 -36.93 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.475 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 9.1 mm-40 -68.89 -50.63 47.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 tt -54.32 -24.19 18.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.5 mt -73.81 -45.87 48.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.546 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 11.1 m-70 -77.85 -2.06 34.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.634 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.546 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 2.4 m170 89.39 -7.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.622 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -64.36 84.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.525 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -79.72 -29.17 40.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 107.964 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.66 -31.21 72.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.475 ' HB2' ' CG ' ' A' ' 71' ' ' GLU . . . -79.79 -49.99 11.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.26 -40.56 16.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -69.13 -54.7 13.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.97 -51.6 5.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.441 ' CG2' ' O ' ' A' ' 64' ' ' ARG . 12.8 mt -65.2 -50.62 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.585 ' CD2' ' SD ' ' A' ' 99' ' ' MET . 0.2 OUTLIER -47.43 -45.45 25.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.623 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -59.42 -60.26 4.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.8 p -46.17 -30.89 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.2 mt -76.69 -46.05 27.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.414 ' CG ' ' HG2' ' A' ' 99' ' ' MET . 67.1 mmm -69.87 -8.77 51.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 69.8 t -82.8 -56.57 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -95.04 -70.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.522 ' CG ' HG22 ' A' ' 61' ' ' VAL . 6.6 m-70 -77.17 61.83 2.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.597 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.523 ' O ' ' CB ' ' A' ' 96' ' ' SER . 9.7 p -84.79 -53.19 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.464 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 33.5 p -61.87 -12.04 15.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -94.77 -61.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.571 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 10.3 m -63.28 -26.53 41.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 58.1 p -61.44 162.25 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.8 tt0 84.83 -0.11 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.571 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.6 p-90 -163.43 -45.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 107.96 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.585 ' SD ' ' CD2' ' A' ' 84' ' ' HIS . 29.3 tpp -36.57 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 98' ' ' TRP . 35.3 m -53.37 -50.87 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -55.6 -58.64 13.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 83.6 t -43.26 -52.0 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.2 -49.29 23.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -65.38 -55.14 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.36 -49.22 3.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.3 mt -50.19 -66.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.22 -49.05 12.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -54.29 -67.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.435 ' CD ' ' HB2' ' A' ' 25' ' ' ALA . 18.5 mmmt -40.83 -54.09 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.525 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 3.5 tttm -48.57 -48.48 38.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.36 -57.46 11.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -45.41 -60.26 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.63 -55.59 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.036 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 58.47 83.33 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.99 42.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.9 p -128.66 -62.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.976 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.12 -58.35 2.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.06 109.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 109.993 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.5 163.4 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.16 113.62 3.98 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.71 97.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.976 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -87.08 159.62 18.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.73 147.27 4.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.4 t -97.85 78.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.1 mt -111.75 146.63 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 63.86 118.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.4 109.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.28 163.87 31.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -157.02 144.59 18.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 110.359 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mt -97.24 141.1 30.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.408 HD13 ' CD1' ' A' ' 52' ' ' TRP . 14.2 tt -61.45 -34.24 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.41 -8.14 55.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.89 -25.73 15.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.525 ' CG2' ' CH2' ' A' ' 52' ' ' TRP . 97.9 t -95.26 -19.94 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -93.08 -36.49 12.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -45.41 -50.77 29.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.4 Cg_endo -74.99 -50.03 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.541 1.811 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 48' ' ' LEU . 11.6 mt -49.61 -43.41 46.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.19 -49.03 47.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.419 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 20.7 mm-40 -47.27 -41.68 19.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.285 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.459 ' HB2' ' CD2' ' A' ' 105' ' ' LEU . . . -62.65 -49.41 75.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.447 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 13.0 tp -49.65 -33.44 15.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.53 -29.36 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.446 ' HB3' ' CD1' ' A' ' 112' ' ' LEU . 4.6 m-20 -75.14 -31.23 61.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' THR . 13.5 p -87.13 -38.91 16.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 108.29 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.416 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.6 OUTLIER -53.13 -33.41 52.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.7 34.55 5.68 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -159.36 -67.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 0.0 109.615 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' CYS . 2.9 m -65.0 153.9 39.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -53.37 132.69 39.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.57 -36.09 4.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -59.07 -70.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.7 t -48.29 -28.86 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 9.3 t -71.03 -48.28 53.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 108.315 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -61.58 -24.87 66.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -76.48 -49.23 17.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.32 -55.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.365 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 43' ' ' ARG . 20.8 p -45.34 -57.47 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -38.3 -35.91 0.2 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.458 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 4.1 mmt180 -71.62 -56.47 5.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 mt -47.62 -49.78 26.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.75 -34.76 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' A' ' 97' ' ' GLN . 3.4 tt -82.7 -59.2 2.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.504 ' HB2' ' CE3' ' A' ' 98' ' ' TRP . 5.8 tp -39.7 -39.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -72.06 -63.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.255 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 54' ' ' GLY . 49.9 mt-10 -43.58 -48.09 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -37.41 87.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.649 ' CD1' ' NZ ' ' A' ' 62' ' ' LYS . 2.1 t90 -65.86 -65.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -55.37 -59.78 4.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.82 -35.02 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.4 19.71 34.6 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -83.9 -18.28 37.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.48 -178.7 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 0.7 OUTLIER -114.41 149.61 35.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.611 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.2 mt -56.95 -46.0 99.91 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.04 -6.87 18.57 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.465 1.771 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.551 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 1.5 t -89.38 -18.3 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.649 ' NZ ' ' CD1' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -94.51 -44.4 7.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.454 ' HE2' ' CG2' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.05 -34.82 68.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.408 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 1.1 mtt180 -78.79 -35.3 44.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -53.94 42.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.01 -41.94 36.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 42.4 mt -52.07 -67.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -44.73 -44.53 9.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.552 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 58.2 t -58.46 -56.19 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -47.91 -25.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' GLN . 5.2 mm-40 -81.63 -39.21 24.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.24 -21.46 66.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.0 mt -77.72 -40.82 39.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.562 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 8.6 m170 -84.06 -2.06 56.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.644 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.562 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 2.2 m170 86.61 -2.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' GLU . 10.0 mm100 -67.73 70.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.494 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -64.62 -47.46 78.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 107.979 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.1 -52.47 20.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' CB ' ' CD ' ' A' ' 71' ' ' GLU . . . -57.53 -54.76 43.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.13 -43.65 41.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.68 -40.1 96.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.84 -54.0 50.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.1 mt -61.85 -42.69 95.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -50.84 -44.61 59.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 88' ' ' MET . 15.4 mmt85 -63.67 -51.77 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.8 p -46.43 -37.24 7.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 64' ' ' ARG . 12.2 mt -73.78 -35.97 65.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.502 ' O ' ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -74.05 -9.03 58.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.5 t -78.77 -52.7 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.64 -69.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.551 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 4.0 m-70 -82.21 63.6 6.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.635 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 88' ' ' MET . 1.4 p -79.67 -39.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.89 -57.51 3.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -45.13 -55.82 5.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.578 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 18.1 m -60.05 -35.36 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.364 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.522 ' O ' ' CD1' ' A' ' 98' ' ' TRP . 0.7 OUTLIER -49.97 177.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.451 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 12.5 mt-30 69.04 3.46 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.578 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 67.3 p-90 -168.0 -43.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 108.015 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.525 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -35.77 -35.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 98' ' ' TRP . 27.3 m -55.65 -53.47 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -49.77 -57.04 10.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.452 HG23 ' CE3' ' A' ' 98' ' ' TRP . 94.8 t -44.15 -53.07 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 0.755 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -48.5 -41.67 30.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -71.4 -55.82 7.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.459 ' CD2' ' HB2' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -42.02 -52.16 4.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 39.6 mt -50.67 -63.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.1 -51.98 9.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -53.62 -61.9 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -45.9 -57.4 4.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -51.62 -54.27 29.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.07 -54.15 7.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.037 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 74.6 mt -45.77 -53.52 9.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.01 82.55 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -123.98 82.45 0.35 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 148.58 35.36 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.98 97.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.951 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.3 t -144.07 -58.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.572 1.17 . . . . 0.0 110.956 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -135.09 152.81 52.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 110.057 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.21 169.65 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.16 -144.08 5.51 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.62 144.34 23.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 109.996 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.16 158.6 37.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.16 158.77 25.91 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 p -160.39 146.38 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.3 mt -140.89 134.92 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -171.98 158.89 4.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 m 61.45 107.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.985 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -64.44 176.41 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 14' ' ' LEU . 2.7 m -132.77 145.2 50.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.373 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.408 ' N ' HG22 ' A' ' 13' ' ' THR . 3.5 mt -98.85 148.25 24.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.548 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 12.0 tt -65.88 -46.87 87.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -64.48 -11.24 31.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.66 -29.93 18.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.4 ' C ' ' HD2' ' A' ' 21' ' ' PRO . 86.5 t -96.35 -18.12 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.96 -37.42 12.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.505 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER -41.79 -51.42 9.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.4 Cg_endo -75.01 -53.56 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.464 HD11 ' CE ' ' A' ' 65' ' ' MET . 11.0 mt -44.72 -36.65 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -75.4 -46.38 33.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 2.2 mm-40 -47.49 -35.71 9.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.44 ' CB ' ' CD2' ' A' ' 105' ' ' LEU . . . -71.1 -50.48 33.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' CYS . 26.8 tp -47.79 -68.39 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -44.17 -48.35 9.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.438 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -57.23 -36.94 71.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' LEU . 6.2 m -75.31 -38.44 60.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.367 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -21.95 60.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.579 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.39 24.33 11.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.463 ' CB ' HD23 ' A' ' 112' ' ' LEU . 39.8 m-70 -152.52 -65.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.635 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.1 m -73.07 153.17 40.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.459 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 22.3 mtpp -40.48 159.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -76.31 -46.54 27.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -57.89 -38.89 76.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 34' ' ' LYS . 91.9 t -64.1 -49.0 83.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.05 -57.53 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 108.271 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.59 -38.0 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.37 -55.74 10.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.1 mt -55.93 -58.29 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.428 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 3.3 p -46.13 -50.32 15.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.71 -35.71 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -70.65 -54.27 12.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.0 mt -45.96 -52.55 11.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.14 -34.46 1.83 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' ARG . 3.7 tt -80.14 -55.0 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.431 ' CD2' HD13 ' A' ' 22' ' ' LEU . 8.1 tp -41.57 -60.28 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 64.0 ttt-85 -52.32 -61.74 2.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' GLY . 46.2 mt-10 -44.54 -44.52 8.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.407 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -70.17 -38.02 75.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.581 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 1.9 t90 -65.67 -60.9 2.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 108.018 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -61.78 -55.02 34.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.42 -32.53 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 96.23 17.29 34.89 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -84.34 -27.38 27.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.761 . . . . 0.0 109.245 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 52' ' ' TRP . 59.7 mt -74.19 144.18 44.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.512 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -80.06 162.26 24.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.974 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 3.9 mt -67.68 -44.72 44.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -74.98 -5.4 16.75 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.552 ' CG2' ' ND1' ' A' ' 91' ' ' HIS . 3.0 t -89.78 -19.73 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.581 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 1.0 OUTLIER -93.4 -46.66 7.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.478 ' CE ' HG23 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -54.84 -31.49 59.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -46.58 24.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.464 ' CE ' HD11 ' A' ' 22' ' ' LEU . 23.0 mmm -53.29 -58.33 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.4 -32.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.231 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.402 ' N ' ' C ' ' A' ' 65' ' ' MET . 8.8 mt -65.0 -61.36 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 84' ' ' HIS . 1.3 tt -48.19 -44.6 32.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.45 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 46.4 t -59.1 -62.83 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 69' ' ' VAL . 39.6 mm-40 -38.74 -40.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.467 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 10.6 mm-40 -66.85 -53.26 34.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 tt -50.96 -29.44 12.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.2 mt -68.87 -47.64 65.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.24 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.499 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -76.65 -2.15 31.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.573 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.516 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 3.1 m170 87.3 -4.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.589 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -65.01 77.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.547 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 0.9 OUTLIER -72.65 -33.84 66.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 107.973 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -35.25 74.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.467 ' HB1' ' CG ' ' A' ' 71' ' ' GLU . . . -77.23 -49.8 14.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.57 -54.18 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -59.36 -54.0 51.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -40.61 -64.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.42 HD12 ' N ' ' A' ' 68' ' ' LEU . 10.4 mt -52.95 -55.19 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.469 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -41.12 -56.49 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.582 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 88' ' ' MET . 20.3 mmt180 -48.62 -59.02 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.6 m -47.71 -35.88 10.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.009 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.6 mt -72.69 -32.77 66.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 85' ' ' ARG . 9.8 ttm -80.9 -8.57 59.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 45.6 t -75.63 -57.6 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -90.31 -52.52 4.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.552 ' ND1' ' CG2' ' A' ' 61' ' ' VAL . 3.6 m-70 -99.07 74.04 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.64 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 93' ' ' THR . 9.6 p -82.18 -53.96 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.477 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -63.72 -54.54 33.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -42.39 -50.24 5.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.568 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 5.7 m -73.76 -32.57 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 12.8 p -56.86 160.7 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.954 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 96' ' ' SER . 4.8 tt0 85.63 0.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.568 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.8 p-90 -164.88 -44.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 98' ' ' TRP . 30.9 tpp -36.96 -32.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 98' ' ' TRP . 32.9 m -55.08 -51.63 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -53.38 -58.0 13.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 94.1 t -44.45 -55.78 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -44.12 -48.2 9.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -65.03 -55.71 17.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.44 ' CD2' ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -43.24 -56.84 3.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.2 mt -44.69 -60.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.26 -49.91 65.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -53.46 -58.74 6.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -47.36 -50.99 20.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.547 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 27.2 tttm -52.2 -41.31 62.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -52.16 66.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.463 HD23 ' CB ' ' A' ' 32' ' ' HIS . 69.8 mt -42.1 -53.86 3.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -52.03 65.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 69.53 80.35 0.26 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 73.47 4.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.558 1.82 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.58 112.19 10.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.03 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.46 108.2 18.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.02 -78.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -141.77 106.66 4.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.935 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.38 89.52 0.09 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.93 170.97 13.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -170.68 111.95 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.957 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.97 99.4 0.12 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.483 1.114 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.3 t -152.07 139.23 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.417 0.716 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.3 mt 64.76 134.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.29 62.05 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.1 t -56.0 -51.84 66.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 62.38 142.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.515 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 1.3 m -131.66 142.07 49.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.403 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -100.97 147.93 25.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.568 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 14.1 tt -63.34 -39.84 86.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -70.75 -6.43 37.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.36 -27.74 13.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.549 HG22 ' CH2' ' A' ' 52' ' ' TRP . 22.3 t -95.3 -22.46 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -89.93 -40.66 12.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.481 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -38.33 -52.82 3.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.3 Cg_endo -74.95 -55.05 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.418 HD11 ' CE ' ' A' ' 65' ' ' MET . 10.4 mt -45.72 -32.17 2.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 19' ' ' LEU . 9.6 mt-10 -84.14 -48.73 9.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.434 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -52.75 -26.19 13.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.464 ' HB2' ' CD ' ' A' ' 109' ' ' LYS . . . -74.1 -38.85 63.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' CYS . 7.4 tp -59.49 -54.87 41.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -45.94 -47.7 16.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -35.56 71.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' LEU . 11.3 m -75.46 -38.04 59.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 108.328 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -17.6 12.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.86 16.39 23.32 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.517 ' CG ' HD21 ' A' ' 112' ' ' LEU . 34.2 m-70 -149.8 -70.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.559 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.524 HG23 ' CG2' ' A' ' 37' ' ' VAL . 11.1 m -56.12 151.15 12.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -55.39 -176.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -83.7 -63.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -41.3 -52.83 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.524 ' CG2' HG23 ' A' ' 33' ' ' THR . 2.5 p -46.85 -62.73 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.422 ' C ' ' N ' ' A' ' 40' ' ' ASP . 47.0 t -50.12 -61.44 2.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.96 -29.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 38' ' ' CYS . 1.3 t70 -80.26 -60.39 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.9 mt -50.72 -52.57 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.254 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 45' ' ' LEU . 24.8 p -50.12 -56.39 11.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -40.72 -35.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -71.64 -48.62 46.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 42' ' ' SER . 8.5 mt -49.66 -55.19 14.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.39 -44.3 2.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tt -71.3 -51.99 21.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.573 HD13 ' CH2' ' A' ' 98' ' ' TRP . 28.7 tp -41.84 -54.69 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -61.37 -49.13 78.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 54' ' ' GLY . 25.2 mt-10 -53.0 -47.22 68.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -69.66 -36.71 76.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.594 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.3 t-105 -66.85 -63.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.018 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -60.91 -54.47 44.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.05 -37.49 0.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.63 25.93 10.34 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -94.15 -23.52 17.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.8 mt -71.89 158.3 36.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.527 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 9.6 p -96.91 155.97 16.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.6 mt -60.14 -45.04 97.82 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.0 -3.22 13.6 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.509 ' CG2' ' OG ' ' A' ' 58' ' ' SER . 2.0 t -92.03 -21.56 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.594 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 13.9 mttt -92.88 -42.16 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -35.68 78.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -72.88 -45.28 59.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.418 ' CE ' HD11 ' A' ' 22' ' ' LEU . 18.0 mmm -54.02 -58.52 7.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.54 -38.2 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.415 ' N ' HD23 ' A' ' 67' ' ' LEU . 7.7 mt -56.29 -64.41 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.77 -42.45 46.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.44 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 59.5 t -61.49 -56.5 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -45.85 -37.65 6.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.464 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 7.9 mm-40 -69.71 -51.44 34.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tt -52.37 -25.73 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.7 mt -71.44 -46.47 59.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.516 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 12.0 m170 -78.51 -1.8 35.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.649 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.516 ' CB ' ' O ' ' A' ' 74' ' ' HIS . 2.3 m170 88.59 -7.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -63.14 82.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.549 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 0.9 OUTLIER -76.75 -36.05 57.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -57.93 -34.27 69.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.464 ' HB1' ' CG ' ' A' ' 71' ' ' GLU . . . -76.91 -49.84 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -45.36 -49.11 13.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.12 -44.49 95.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -50.45 -55.81 14.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.3 mt -64.3 -47.9 87.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.43 -38.81 20.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.622 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 88' ' ' MET . 21.3 mmt85 -67.56 -56.1 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.8 p -46.48 -34.21 4.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.08 -39.96 65.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 85' ' ' ARG . 94.1 mmm -69.1 -8.68 47.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 72.5 t -78.73 -61.46 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -95.74 -69.88 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.504 ' CG ' HG23 ' A' ' 61' ' ' VAL . 34.9 m-70 -74.73 61.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.627 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 93' ' ' THR . 4.4 p -88.55 -50.02 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.464 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 1.0 OUTLIER -70.15 -9.85 56.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.42 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -89.13 -59.1 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 11.0 m -65.34 -32.43 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.6 p -50.78 170.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 77.11 -0.2 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.574 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 69.0 p-90 -164.8 -44.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.0 tpp -37.79 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 98' ' ' TRP . 25.8 m -56.75 -48.39 81.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.54 -61.94 6.9 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 74.3 t -45.13 -47.55 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 0.728 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.02 -56.31 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -60.87 -50.22 74.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.441 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -42.01 -51.75 4.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.6 mt -47.15 -61.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.28 -51.38 11.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -55.19 -64.7 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.464 ' CD ' ' HB2' ' A' ' 25' ' ' ALA . 18.0 mmmt -40.8 -53.56 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.549 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 9.6 tttp -58.05 -53.17 61.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.8 t -51.86 -47.84 64.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.517 HD21 ' CG ' ' A' ' 32' ' ' HIS . 55.3 mt -46.06 -53.58 9.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.2 t -63.81 -53.76 45.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 62.92 69.62 1.26 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.553 1.158 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 68.48 5.77 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 92.5 p -85.96 166.76 15.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.013 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.1 m -88.22 161.71 17.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -171.51 90.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.48 101.33 7.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.17 -114.6 0.1 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -139.0 133.53 31.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 0.798 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.46 156.89 20.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.972 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.3 176.96 16.68 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.5 t -149.33 129.82 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.3 mt -139.23 97.67 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -155.13 115.09 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.1 t -125.71 79.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -178.19 109.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.576 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 2.1 m -139.46 140.79 37.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 mt -112.27 144.65 41.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.493 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 14.5 tt -57.99 -35.73 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -73.11 -18.78 61.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.42 -22.93 21.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.576 ' CG2' ' CG2' ' A' ' 13' ' ' THR . 48.6 t -95.49 -22.95 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.04 -31.52 15.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.497 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 2.6 mmt180 -48.09 -51.63 47.21 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.2 Cg_endo -75.03 -51.11 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.791 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.429 ' CD1' HD22 ' A' ' 48' ' ' LEU . 10.4 mt -45.94 -41.25 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.96 -46.85 50.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -49.24 -29.59 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.77 -47.04 22.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.2 tp -49.5 -68.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -40.93 -41.66 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.456 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -61.76 -52.01 65.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' THR . 23.5 m -62.9 -49.72 73.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 108.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.36 -42.36 2.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.639 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.9 43.09 1.77 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' CYS . 24.4 m-70 -165.37 -64.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.607 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' CYS . 4.3 m -73.79 149.68 41.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -45.77 133.03 8.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -47.25 -54.55 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -41.21 -58.18 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 40' ' ' ASP . 70.9 t -51.71 -60.32 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.4 t -44.45 -60.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.281 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.01 -37.41 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' VAL . 4.5 t70 -70.48 -57.45 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.79 -61.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.6 p -39.63 -59.06 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.28 -46.88 6.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.451 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 16.5 mmt180 -59.34 -40.97 88.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 46' ' ' ALA . 11.1 mt -60.17 -56.01 26.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' LEU . . . -40.03 -46.63 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.14 -50.79 60.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.545 HD23 ' CZ3' ' A' ' 98' ' ' TRP . 8.7 tp -45.74 -57.57 4.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -57.41 -59.41 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -44.52 -49.85 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -65.34 -37.68 87.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.615 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.0 t90 -65.68 -62.83 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 107.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -58.18 -58.31 9.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.87 -35.95 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.97 37.1 5.55 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' O ' ' OE2' ' A' ' 94' ' ' GLU . 2.0 mmtt -99.05 -23.69 15.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 52' ' ' TRP . 40.8 mt -78.26 148.28 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.539 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.2 m -78.16 163.15 26.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.9 mt -64.25 -45.26 78.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.03 -2.58 12.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.55 HG22 ' CE1' ' A' ' 91' ' ' HIS . 3.9 t -89.7 -27.33 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.615 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 24.2 mttt -86.38 -42.2 13.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -36.33 79.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -72.18 -44.26 63.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 66' ' ' ALA . 23.7 mmm -51.64 -61.56 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -38.17 -42.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.239 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -50.35 -65.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.365 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 84' ' ' HIS . 1.0 OUTLIER -48.45 -46.38 37.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.458 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 47.0 t -56.74 -59.27 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -43.4 -43.36 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.458 ' CG ' ' HB3' ' A' ' 79' ' ' ALA . 9.0 mm-40 -63.71 -55.36 23.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 tt -46.4 -37.17 7.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.0 mt -62.54 -48.0 81.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.445 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 33.7 m170 -75.83 -1.97 27.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.621 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.472 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.2 m170 83.5 -1.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.625 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -67.26 70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.566 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 1.0 OUTLIER -63.66 -42.18 98.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 107.964 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.02 -41.47 59.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.458 ' HB3' ' CG ' ' A' ' 71' ' ' GLU . . . -70.69 -51.16 29.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -44.42 -52.98 7.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -58.99 5.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -39.82 -60.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.417 HD11 ' N ' ' A' ' 68' ' ' LEU . 13.7 mt -57.34 -54.53 29.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -43.55 -49.69 7.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.576 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.495 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 20.1 mmt85 -56.61 -48.39 77.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.9 m -53.66 -39.95 65.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.2 mt -71.68 -32.25 67.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.473 ' O ' ' CG ' ' A' ' 88' ' ' MET . 11.6 ttm -86.32 -8.71 57.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 85' ' ' ARG . 70.4 t -81.11 -50.56 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -95.34 -69.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.55 ' CE1' HG22 ' A' ' 61' ' ' VAL . 2.1 m-70 -75.12 61.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.62 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.411 ' O ' ' OG ' ' A' ' 96' ' ' SER . 9.8 p -86.72 -14.71 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.0 p -97.37 -10.34 25.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.359 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 56' ' ' LYS . 5.8 mm-40 -104.05 -62.72 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.578 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 10.1 m -55.26 -33.99 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 92' ' ' VAL . 13.1 p -55.17 170.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.84 -0.42 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.578 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 62.3 p-90 -160.94 -46.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.031 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.35 -45.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.406 HG23 ' NH1' ' A' ' 44' ' ' ARG . 29.4 m -45.22 -45.3 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.075 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.81 -57.2 21.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.2 t -50.4 -47.58 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.359 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.449 ' HD2' ' CE1' ' A' ' 84' ' ' HIS . 20.0 tttm -46.97 -47.41 21.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -69.01 -49.01 61.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 110.276 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.94 -55.82 2.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.1 mt -43.9 -65.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -42.13 -58.45 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -50.52 -64.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -42.94 -50.42 5.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.566 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 46.1 tttt -55.57 -63.51 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.37 -53.11 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.963 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 mt -43.72 -60.24 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.6 t -41.92 -56.85 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 117.9 86.83 1.16 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.71 9.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.445 1.761 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.71 93.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.9 m -170.11 96.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.13 . . . . 0.0 110.947 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.21 103.04 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.785 . . . . 0.0 110.024 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -84.24 -58.55 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.13 -58.89 0.59 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.0 161.74 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 109.985 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 62.68 148.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.63 84.73 1.46 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -169.21 135.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.272 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.1 mt -139.16 146.49 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -109.05 120.04 41.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.35 142.48 22.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.51 175.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.484 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 17.3 m -158.75 136.37 10.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.79 150.42 20.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.541 HD12 ' CD1' ' A' ' 52' ' ' TRP . 19.4 tt -61.62 -50.68 79.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -61.68 -15.46 40.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 -30.37 23.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.484 ' CG2' ' CG2' ' A' ' 13' ' ' THR . 59.4 t -96.01 -19.89 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 15' ' ' ILE . 0.6 OUTLIER -89.66 -38.09 14.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.479 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 1.1 mmt180 -38.3 -52.67 3.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.3 Cg_endo -74.99 -58.31 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.479 HD12 ' CE ' ' A' ' 65' ' ' MET . 13.6 mt -45.22 -26.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 21' ' ' PRO . 9.1 mt-10 -90.12 -39.37 12.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' PRO . 5.9 pt20 -66.21 -29.84 70.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.426 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -67.08 -51.67 51.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' CYS . 12.3 tp -46.87 -47.35 21.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -46.24 -32.64 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.6 -39.29 73.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -77.03 -35.15 57.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.446 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -59.5 -22.73 62.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.642 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.6 43.58 1.35 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.473 ' CB ' HD22 ' A' ' 112' ' ' LEU . 16.1 t60 -166.6 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.598 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.469 ' CB ' ' OE1' ' A' ' 108' ' ' GLU . 0.9 OUTLIER -68.4 151.75 46.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.413 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -45.6 155.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -69.66 -46.26 66.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -46.75 -47.68 20.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.03 -39.05 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.6 t -64.29 -53.47 48.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -49.9 -24.78 2.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.56 -59.31 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.6 mt -53.74 -59.08 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 p -42.07 -58.87 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.69 -46.15 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.452 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 62.6 mmt-85 -62.76 -41.06 99.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.418 1.074 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' ALA . 10.4 mt -53.84 -57.62 10.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' LEU . . . -40.02 -45.41 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.421 ' CD2' ' HG3' ' A' ' 51' ' ' GLN . 0.9 OUTLIER -66.07 -58.88 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.7 tp -40.43 -52.12 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -63.72 -61.79 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -44.73 -50.11 10.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.421 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -66.35 -38.28 87.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.586 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 1.8 t90 -64.45 -63.24 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 108.005 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.51 -56.71 18.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.51 -34.24 0.24 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.31 18.96 29.4 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -84.01 -14.15 51.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.1 mt -91.65 136.6 33.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.511 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -68.1 161.01 27.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.009 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 2.8 mp -67.31 -44.54 47.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -75.07 -5.62 16.99 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.429 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.5 t -89.52 -20.11 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -94.36 -45.87 7.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' CE ' HG23 ' A' ' 59' ' ' ILE . 1.7 mtmp? -54.68 -35.09 63.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.467 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -71.64 -40.61 69.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.479 ' CE ' HD12 ' A' ' 22' ' ' LEU . 22.0 mmm -57.25 -57.44 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.09 -43.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.0 mt -54.51 -66.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.484 ' C ' ' CD2' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -45.28 -43.41 10.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 76.1 t -58.9 -53.71 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -51.37 -29.24 14.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.439 ' CD ' ' CB ' ' A' ' 79' ' ' ALA . 6.0 mm-40 -75.75 -41.0 54.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.14 -26.09 68.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.0 mt -79.14 -37.65 38.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.551 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER -83.39 -2.0 54.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.585 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.551 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 0.7 OUTLIER 82.91 -3.21 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.623 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 71' ' ' GLU . 29.5 mm-40 -69.15 61.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.518 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -56.19 -46.71 79.31 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -49.05 -50.68 35.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' CB ' ' CD ' ' A' ' 71' ' ' GLU . . . -60.01 -54.16 49.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.356 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -45.37 -46.06 12.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.16 -38.84 92.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -58.54 -50.22 74.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.5 mt -68.6 -43.63 83.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.562 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -50.38 -57.9 6.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.551 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 89' ' ' VAL . 22.6 mmt180 -51.21 -53.15 37.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.333 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.6 m -47.94 -44.12 29.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 110.038 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 64' ' ' ARG . 30.5 mt -67.47 -29.99 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.471 ' O ' ' CG ' ' A' ' 88' ' ' MET . 12.4 ttm -87.84 -9.24 54.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 85' ' ' ARG . 78.7 t -83.46 -49.7 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.5 -69.64 0.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.429 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 15.5 m-70 -81.66 62.62 5.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.584 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 96' ' ' SER . 3.5 p -81.9 -50.81 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.487 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 31.5 p -62.57 -11.82 18.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -95.77 -61.93 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.562 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 10.5 m -61.71 -27.46 42.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 58.1 p -61.08 163.22 6.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.466 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.1 tt0 83.24 1.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.562 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 69.7 p-90 -164.12 -46.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 108.04 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.485 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.4 OUTLIER -37.92 -42.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.452 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 27.2 m -45.53 -46.7 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -59.47 -59.96 9.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 76.7 t -47.82 -46.96 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.95 -52.96 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -61.73 -47.85 83.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.426 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -40.64 -60.21 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.4 mt -44.45 -52.26 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.79 -42.55 75.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.469 ' OE1' ' CB ' ' A' ' 33' ' ' THR . 2.2 mm-40 -61.6 -66.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.447 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 17.9 mmmt -40.62 -54.42 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -48.16 -55.56 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.66 -59.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 32' ' ' HIS . 1.8 mp -54.09 -60.65 3.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.467 ' HB2' ' CZ2' ' A' ' 77' ' ' TRP . 43.7 m -74.37 78.66 1.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -115.75 91.2 0.55 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -44.38 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 98.9 p -105.08 170.39 7.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.948 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.2 m -125.54 118.42 25.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.002 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.33 79.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 110.018 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -96.5 91.74 5.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.14 164.46 30.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.27 155.54 30.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 0.749 . . . . 0.0 109.986 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.8 p -131.91 78.89 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.83 116.87 3.11 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 p -168.01 135.18 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 109.286 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.0 mt -134.43 133.56 54.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -175.51 -44.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 p -161.18 146.73 14.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.992 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.58 151.69 44.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.592 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 1.4 m -116.79 140.48 49.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.418 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mt -105.34 151.9 23.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.507 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 19.5 tt -62.02 -41.06 89.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 20' ' ' ARG . 39.8 mt-10 -75.01 -8.0 55.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.51 -31.27 16.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.592 ' CG2' ' CG2' ' A' ' 13' ' ' THR . 38.7 t -92.84 -16.1 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.02 -37.38 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.514 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -43.13 -50.84 14.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.3 Cg_endo -75.02 -53.2 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.469 ' CD1' ' HE3' ' A' ' 65' ' ' MET . 8.4 mt -43.61 -39.93 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -73.77 -48.09 34.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -46.55 -46.54 19.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' CB ' ' HD3' ' A' ' 109' ' ' LYS . . . -57.71 -55.03 40.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.4 tp -43.46 -54.94 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -41.11 -43.62 2.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -54.81 26.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -55.3 -46.66 76.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.254 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.46 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -49.9 -24.1 2.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.28 34.18 4.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -160.02 -66.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 109.593 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.82 150.63 48.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.44 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.3 146.75 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -29.44 70.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -68.91 -57.16 5.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.0 t -58.46 -31.97 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.5 t -67.19 -52.1 45.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 108.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -54.52 -32.96 59.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.73 -64.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 52.9 mt -41.61 -62.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.7 p -44.06 -54.52 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -47.86 -39.04 17.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.468 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 15.4 mmt180 -69.17 -36.54 77.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.78 -55.93 28.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.47 -45.54 2.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.75 -56.36 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.572 ' HB2' ' CE3' ' A' ' 98' ' ' TRP . 2.3 tp -40.58 -52.27 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -62.07 -44.13 97.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' GLY . 31.4 mt-10 -61.09 -46.56 90.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -68.13 -38.56 82.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.611 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 1.7 t-105 -63.15 -61.66 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -60.75 -56.8 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.45 -33.59 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 97.69 7.76 56.42 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' O ' ' OE1' ' A' ' 94' ' ' GLU . 1.5 mmmt -71.56 -10.64 60.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.413 HD12 ' CA ' ' A' ' 52' ' ' TRP . 76.0 mt -96.77 142.44 28.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.547 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.1 m -75.08 162.68 28.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.633 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 6.1 mt -64.22 -45.03 78.61 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -75.03 -2.57 12.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.661 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.5 t -89.83 -29.4 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.611 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 34.3 mttm -84.92 -42.06 15.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -35.43 77.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -42.38 56.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.469 ' HE3' ' CD1' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -53.19 -57.49 10.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -42.05 -35.96 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.3 -61.88 2.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 84' ' ' HIS . 1.1 tt -49.18 -42.9 41.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.45 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 46.9 t -61.01 -60.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -42.45 -43.69 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.464 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 44.1 mm-40 -63.81 -55.59 21.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tt -49.55 -33.37 14.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.8 mt -66.19 -43.98 85.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.471 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 10.0 m-70 -80.56 -2.29 45.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.548 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.512 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 3.4 m170 85.16 0.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.624 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.404 ' CB ' ' OE1' ' A' ' 71' ' ' GLU . 35.5 mm-40 -69.3 70.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.519 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -65.7 -37.89 87.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 108.037 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.58 -34.44 64.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.464 ' HB2' ' CG ' ' A' ' 71' ' ' GLU . . . -79.35 -49.24 12.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.33 -53.99 4.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -57.17 -55.51 33.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -39.89 -57.75 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.419 HD12 ' N ' ' A' ' 68' ' ' LEU . 10.9 mt -61.63 -56.94 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.493 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -40.71 -49.19 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.571 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.505 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 33.5 mmt180 -58.18 -49.44 77.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.7 p -51.38 -41.77 60.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 74.0 mt -71.52 -45.03 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -8.48 38.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 85' ' ' ARG . 55.2 t -84.52 -50.67 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.58 -69.69 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.661 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 7.5 m-70 -82.33 64.45 7.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.627 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.449 ' O ' ' CB ' ' A' ' 96' ' ' SER . 3.6 p -84.58 -40.18 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.1 p -72.54 -16.71 61.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 56' ' ' LYS . 7.8 mm-40 -88.05 -61.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.572 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 18.5 m -58.64 -30.81 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 21.3 p -59.43 161.05 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 96' ' ' SER . 6.7 tt0 85.32 0.68 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 48' ' ' LEU . 66.6 p-90 -163.59 -44.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' TRP . 0.4 OUTLIER -37.62 -47.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.468 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 35.1 m -41.21 -42.93 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -62.58 -55.18 28.7 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.16 -47.95 79.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -46.81 -54.02 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -59.99 -48.4 81.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.409 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -42.35 -51.1 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 34.1 mt -46.77 -61.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -46.61 -59.14 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -50.31 -67.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.471 ' HD3' ' CB ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -42.12 -53.02 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.519 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 23.4 tttt -56.45 -54.18 48.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.36 -51.71 18.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.4 mt -41.44 -59.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.1 -64.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 53.49 67.72 2.0 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.86 -46.61 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.548 1.815 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.83 105.22 8.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 109.977 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 58.8 p -96.35 158.17 15.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -163.85 127.3 2.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.052 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.55 148.6 12.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.24 -143.73 9.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 t 54.06 79.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.961 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 t -90.75 147.69 23.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.81 -74.1 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.1 t 60.1 68.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.8 mt -130.87 132.13 64.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.26 119.66 7.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.27 144.9 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.97 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.56 133.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.528 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 2.4 m -153.34 147.22 25.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.408 ' N ' HG21 ' A' ' 13' ' ' THR . 2.8 mt -115.76 149.73 38.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.402 HD12 ' CD1' ' A' ' 52' ' ' TRP . 21.5 tt -57.85 -43.51 84.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -70.73 -6.43 37.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.87 -32.53 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.559 HG21 ' CZ2' ' A' ' 52' ' ' TRP . 42.8 t -90.8 -22.43 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -89.68 -38.29 13.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -38.95 -52.34 3.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.4 Cg_endo -74.93 -58.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.7 mt -45.45 -27.55 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 19' ' ' LEU . 11.0 mt-10 -86.73 -46.61 9.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -61.07 -29.45 69.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.47 ' HB2' ' CD ' ' A' ' 109' ' ' LYS . . . -68.11 -44.35 76.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' CYS . 17.7 tp -51.88 -60.9 2.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -44.73 -46.56 10.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.46 -37.27 75.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' THR . 62.4 m -75.53 -43.7 47.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.7 -25.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.093 . . . . 0.0 109.581 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.21 -34.28 10.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.565 1.166 . . . . 0.0 111.037 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 29' ' ' CYS . 79.9 t60 -101.44 -72.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.503 HG22 ' CG2' ' A' ' 37' ' ' VAL . 8.2 m -42.4 152.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.471 ' N ' HG11 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -55.79 -166.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -94.82 -59.75 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.36 -45.07 35.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.503 ' CG2' HG22 ' A' ' 33' ' ' THR . 2.6 p -48.61 -60.85 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' ASP . 49.0 t -47.72 -59.63 3.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 38' ' ' CYS . 20.3 t70 -39.62 -34.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -76.22 -60.02 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.9 mt -49.92 -58.2 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.9 p -47.08 -54.46 10.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -38.56 22.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.434 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 30.9 mmt180 -69.84 -44.01 70.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.5 mt -53.54 -55.74 22.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.17 -43.39 1.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.11 -55.02 16.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.477 ' HB2' ' CE3' ' A' ' 98' ' ' TRP . 6.2 tp -42.57 -53.8 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -58.2 -51.64 68.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.344 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 54' ' ' GLY . 31.2 mm-40 -54.71 -55.57 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.62 -37.17 80.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.587 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.1 t-105 -66.0 -64.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 107.996 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -54.09 -59.15 5.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -38.6 -30.79 0.1 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 87.1 31.68 16.5 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.34 -26.36 22.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 52' ' ' TRP . 20.2 mt -75.72 160.23 30.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.531 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.8 OUTLIER -86.8 158.72 19.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.1 mt -63.2 -44.96 85.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -74.98 -2.63 12.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.62 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.3 t -90.69 -25.75 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.587 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 30.7 mttm -89.37 -41.36 12.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.34 80.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -42.87 60.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' ALA . 16.7 mmm -53.69 -58.81 5.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -38.76 -45.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.6 mt -51.46 -68.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.515 ' C ' ' CD2' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -44.98 -43.12 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.473 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 74.5 t -60.55 -50.65 79.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -53.71 -30.12 42.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' GLN . 4.9 mm-40 -74.48 -43.18 57.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 tt -61.51 -25.29 67.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.8 mt -75.59 -41.09 55.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.488 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 29.0 m170 -83.24 -2.44 55.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.518 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.7 m170 84.46 1.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.615 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' GLU . 29.4 mm-40 -71.38 59.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.518 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -54.21 -53.05 58.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -43.09 -52.81 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 82' ' ' ASP . . . -57.29 -54.81 42.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -45.06 -51.12 10.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.54 -36.86 69.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 79' ' ' ALA . 1.3 t70 -60.69 -58.57 7.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.0 mt -59.37 -46.28 92.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.1 -49.89 50.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.634 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -54.47 -52.38 62.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.6 p -48.42 -40.99 27.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.5 mt -71.76 -43.34 65.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -9.15 50.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 71.8 t -80.55 -55.28 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -95.09 -69.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.62 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 13.9 m-70 -75.85 60.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.571 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 93' ' ' THR . 6.0 p -84.91 -49.57 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.431 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -67.53 -21.36 65.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.388 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -81.48 -61.49 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.56 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 25.6 m -57.39 -38.63 63.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.1 p -48.75 174.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 73.46 2.92 4.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.262 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.56 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 69.3 p-90 -167.72 -44.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 108.011 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.468 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -37.09 -47.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.958 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.434 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 28.8 m -42.34 -46.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -58.85 -48.51 85.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.098 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.53 -55.59 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 0.731 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -42.79 -50.15 5.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -62.76 -50.48 70.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.255 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.425 ' CD2' ' HB1' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -43.07 -59.76 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.325 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 40.1 mt -41.85 -59.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.3 -48.17 36.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -58.97 -64.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.47 ' CD ' ' HB2' ' A' ' 25' ' ' ALA . 6.9 mmmt -40.76 -48.2 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' SER . 14.7 tttm -57.95 -50.92 71.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' LYS . 0.1 OUTLIER -39.44 -54.16 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 mp -49.24 -63.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.99 79.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -133.13 97.21 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.432 1.083 . . . . 0.0 111.042 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 73.72 4.22 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.3 p -165.52 -58.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.37 -57.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t 66.25 163.23 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -168.26 173.79 7.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.75 -153.79 14.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -170.48 173.65 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -53.0 176.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.011 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.37 157.64 22.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 t -137.65 112.1 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.255 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.8 mt -122.86 134.43 66.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -175.89 139.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.308 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.45 -176.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 13' ' ' THR . 2.2 mt-10 -62.76 -21.5 65.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 12' ' ' GLU . 3.0 m 60.43 125.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.0 mt -106.33 151.71 24.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.54 HD12 ' CD1' ' A' ' 52' ' ' TRP . 19.3 tt -61.91 -49.29 84.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.92 -16.76 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.73 -33.6 30.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.541 ' CG2' ' CH2' ' A' ' 52' ' ' TRP . 63.4 t -89.3 -21.15 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -90.11 -37.0 14.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.591 1.182 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.486 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 2.6 mmt180 -38.87 -52.34 3.74 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 110.348 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.2 Cg_endo -75.06 -58.0 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.448 ' CD1' ' HE3' ' A' ' 65' ' ' MET . 21.1 mt -45.43 -28.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' LEU . 15.3 mt-10 -85.66 -46.07 11.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 21' ' ' PRO . 5.8 pt20 -62.35 -28.83 70.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.479 ' HB1' ' CD ' ' A' ' 109' ' ' LYS . . . -71.24 -50.28 34.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' CYS . 41.5 tp -46.14 -61.41 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.19 -45.96 5.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.56 -41.21 72.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 26' ' ' LEU . 82.0 m -70.43 -42.22 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 108.317 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -42.47 -54.57 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.415 ' O ' ' CD2' ' A' ' 32' ' ' HIS . . . -90.96 47.58 2.95 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.572 ' CD2' HD23 ' A' ' 112' ' ' LEU . 19.8 m-70 -167.29 -76.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.6 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.4 m -66.59 151.69 46.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.419 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.96 170.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -82.42 -48.07 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -50.9 -35.05 30.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.2 t -76.49 -54.64 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -41.54 64.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 108.344 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -31.68 72.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -71.41 -60.73 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 44' ' ' ARG . 29.4 mt -49.75 -61.21 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.4 p -42.24 -54.87 3.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.4 -34.84 1.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.452 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 3.9 mmt180 -71.55 -51.53 22.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.9 mt -43.02 -50.68 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.39 -45.05 35.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.459 HD13 ' CB ' ' A' ' 97' ' ' GLN . 2.0 tt -68.69 -41.2 79.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.408 HD22 ' CD1' ' A' ' 22' ' ' LEU . 13.5 tp -55.14 -62.08 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 53' ' ' ALA . 68.1 ttt180 -51.17 -60.82 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -42.52 -54.57 3.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -38.77 86.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.576 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.2 t90 -65.83 -66.83 0.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 49' ' ' ARG . . . -50.7 -59.11 4.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.04 -40.43 1.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.2 12.74 32.97 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -26.17 61.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.0 mt -73.97 147.97 42.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.5 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -81.64 149.13 28.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.603 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.1 mt -55.36 -45.57 99.84 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.06 -5.63 17.01 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.519 1.8 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.482 HG21 ' CG ' ' A' ' 91' ' ' HIS . 2.2 t -92.13 -20.92 6.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.576 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 2.0 mttp -88.76 -47.85 7.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -29.33 67.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.12 -45.69 26.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.448 ' HE3' ' CD1' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -52.97 -58.31 7.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.61 -35.45 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mt -62.01 -62.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.55 -34.05 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.448 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 68.3 t -72.4 -60.06 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -41.28 -37.94 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 79' ' ' ALA . 9.2 mm-40 -66.76 -51.22 58.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.56 -27.28 37.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.4 mt -70.59 -45.76 64.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.54 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -79.11 -1.73 37.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.616 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.54 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 1.7 m170 88.49 -3.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.642 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -66.1 73.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.528 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -68.43 -38.24 81.01 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -41.52 70.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.464 ' HB3' ' CG ' ' A' ' 71' ' ' GLU . . . -70.52 -51.27 29.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -40.04 -54.95 2.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -60.6 -45.82 92.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -45.12 -66.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.9 mt -54.23 -52.42 38.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.239 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.534 ' CG ' ' N ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -40.32 -70.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.59 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.534 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 24.2 mmt180 -39.77 -63.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.1 m -47.27 -36.74 9.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 84' ' ' HIS . 6.0 mt -71.29 -35.42 71.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.464 ' O ' ' CG ' ' A' ' 88' ' ' MET . 12.2 ttm -85.47 -9.35 57.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 85' ' ' ARG . 54.4 t -79.58 -58.31 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -86.21 -65.48 1.01 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.482 ' CG ' HG21 ' A' ' 61' ' ' VAL . 3.8 m-70 -79.99 61.54 3.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.642 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.415 HG11 ' N ' ' A' ' 93' ' ' THR . 9.8 p -82.09 -24.03 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.415 ' N ' HG11 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -84.56 -9.85 57.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.449 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -103.76 -56.08 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.564 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 1.8 m -83.42 52.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' ' 97' ' ' GLN . 4.8 p -132.07 159.13 39.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' A' ' 96' ' ' SER . 69.0 mt-30 74.54 12.49 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.564 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.4 p-90 -163.4 -48.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 95' ' ' VAL . 28.8 tpp -37.54 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.061 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 98' ' ' TRP . 27.3 m -56.31 -49.39 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.4 -63.99 4.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 101' ' ' GLY . 73.2 t -40.01 -53.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.8 tttm -42.0 -49.47 4.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 101' ' ' GLY . 15.4 tpp180 -66.78 -50.7 61.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.462 HD23 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -42.33 -56.13 3.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.5 mt -44.9 -58.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.03 -52.18 45.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -55.14 -61.82 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.479 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 12.4 mmmt -45.81 -48.24 15.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.513 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 60.9 tttt -55.44 -59.14 5.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.07 -52.73 8.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.572 HD23 ' CD2' ' A' ' 32' ' ' HIS . 55.5 mt -44.67 -58.76 2.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.98 -56.83 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.041 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -58.41 109.82 2.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 97.89 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.792 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 73.7 m -152.62 141.61 21.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.5 m -148.07 96.34 2.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p -159.15 -52.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 110.016 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -172.39 -63.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.62 -146.12 17.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.12 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.47 93.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.3 p -107.13 135.15 49.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.05 99.61 2.53 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.5 t -105.27 66.56 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mt 66.35 146.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -89.59 -63.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.6 p -174.33 85.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -162.1 122.77 2.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.448 HG22 ' CB ' ' A' ' 66' ' ' ALA . 43.4 m -151.08 130.96 13.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mt -103.89 155.13 18.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.483 HD11 ' CD1' ' A' ' 52' ' ' TRP . 16.0 tt -64.73 -38.17 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -78.42 -6.22 54.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.256 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.92 -33.74 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.511 HG22 ' CH2' ' A' ' 52' ' ' TRP . 40.9 t -88.82 -19.2 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -89.5 -41.23 12.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.471 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -37.69 -53.09 2.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.2 Cg_endo -75.02 -54.74 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.413 ' CD1' HD21 ' A' ' 48' ' ' LEU . 9.2 mt -45.04 -32.12 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -82.16 -42.79 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 3.3 mm-40 -53.8 -43.3 69.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.469 ' HB3' ' CD2' ' A' ' 105' ' ' LEU . . . -61.55 -43.13 99.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.452 ' CD2' HD11 ' A' ' 45' ' ' LEU . 29.0 tp -50.83 -64.73 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -41.07 -40.88 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -54.81 37.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.9 m -60.88 -46.17 91.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 108.329 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.18 -41.7 8.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.579 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.21 44.9 1.38 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.448 ' CG ' HD22 ' A' ' 112' ' ' LEU . 25.4 m-70 -164.76 -67.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.75 . . . . 0.0 109.599 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -72.49 153.86 41.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.43 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -44.19 123.53 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -43.75 -48.95 8.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -49.59 -51.51 36.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.67 -53.18 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.9 t -48.15 -56.45 7.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 108.342 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -46.92 -44.37 19.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.411 ' HA ' ' NH1' ' A' ' 43' ' ' ARG . 44.2 t0 -64.61 -43.09 94.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.69 -56.91 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 p -49.76 -39.16 36.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.411 ' NH1' ' HA ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -54.42 -36.3 63.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.465 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 4.7 mmt180 -71.27 -49.11 46.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.452 HD11 ' CD2' ' A' ' 26' ' ' LEU . 10.7 mt -49.81 -55.2 15.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.08 -46.01 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' LEU . 3.9 tt -66.98 -55.68 13.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' A' ' 22' ' ' LEU . 2.6 tp -40.29 -55.06 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -57.3 -48.27 79.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 54' ' ' GLY . 2.3 mt-10 -54.41 -57.63 10.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.81 -38.49 82.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.583 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.1 t90 -64.49 -64.06 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.425 ' N ' HD11 ' A' ' 15' ' ' ILE . . . -55.13 -59.78 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.36 -38.3 0.25 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.0 33.53 6.0 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -95.0 -33.96 12.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.9 mt -64.05 152.07 41.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.556 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -80.79 158.39 25.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.978 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.645 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 6.0 mm -65.5 -43.41 62.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -75.04 -2.61 12.76 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.524 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.7 t -90.28 -25.39 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.583 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 30.1 mttt -88.71 -42.51 11.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -34.94 75.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -44.81 27.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' ALA . 18.9 mmm -51.2 -59.18 4.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.448 ' CB ' HG22 ' A' ' 13' ' ' THR . . . -39.67 -40.72 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.0 mt -54.32 -64.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -49.6 -43.36 46.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.453 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 49.9 t -59.26 -59.77 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -43.86 -42.31 5.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 79' ' ' ALA . 9.1 mm-40 -64.27 -53.96 40.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.4 tt -48.23 -36.13 13.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.55 -48.24 73.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -75.74 -1.77 26.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.583 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.2 m170 79.05 10.19 1.64 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 109.595 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -76.55 55.22 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.565 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 0.9 OUTLIER -48.13 -53.29 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 107.998 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 77' ' ' TRP . 3.1 t0 -40.56 -42.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.466 ' HB3' ' CG ' ' A' ' 71' ' ' GLU . . . -71.96 -50.38 29.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.78 -52.85 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.53 -51.16 71.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -43.21 -61.66 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.9 mt -58.45 -52.38 60.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.457 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 2.8 t-80 -42.43 -59.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -48.42 -51.14 28.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.5 m -47.98 -43.08 29.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.98 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 91' ' ' HIS . 38.2 mt -70.34 -33.49 71.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.413 ' HG3' ' NE2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -76.11 -9.06 58.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 56.3 t -79.99 -55.27 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -95.62 -68.93 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.524 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 8.7 m-70 -81.69 64.1 6.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.604 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.405 ' CG1' ' N ' ' A' ' 93' ' ' THR . 2.8 p -82.24 -45.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.405 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -70.09 -54.32 13.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -44.19 -53.62 6.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.474 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 13.6 m -65.58 -34.21 68.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.418 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 2.2 p -49.85 167.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' ' 96' ' ' SER . 2.0 tt0 79.99 0.02 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.474 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.9 p-90 -166.15 -43.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 98' ' ' TRP . 32.1 tpp -36.75 -32.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' TRP . 28.7 m -55.44 -51.53 56.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -52.02 -59.98 8.13 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 98.5 t -43.37 -54.89 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -42.89 -60.36 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -55.67 -51.77 66.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -43.19 -58.67 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 48.0 mt -41.34 -64.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.62 -53.9 5.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -52.18 -65.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.448 ' HD3' ' CB ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -42.38 -48.85 5.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.565 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 1.6 ttpt -58.85 -62.45 1.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t -43.19 -49.44 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.039 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.448 HD22 ' CG ' ' A' ' 32' ' ' HIS . 13.1 mt -49.59 -62.14 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.7 t -47.63 -60.56 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.03 93.05 2.04 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.82 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 29.2 t -114.61 148.37 38.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.3 m -154.09 138.27 16.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 p 58.3 112.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 110.064 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 p -143.87 150.61 38.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.23 -163.6 25.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.1 157.9 42.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.08 -69.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.952 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.68 102.38 2.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 p -149.34 168.47 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.747 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 10' ' ' GLU . 12.6 mt 71.34 -120.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' ILE . 4.9 mm-40 38.92 89.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.26 -49.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 63.57 125.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 m -104.3 140.3 38.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mt -99.38 147.63 25.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.346 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.494 HD12 ' CD1' ' A' ' 52' ' ' TRP . 15.3 tt -65.75 -40.07 86.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.21 -6.61 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.57 -25.52 15.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.562 HG22 ' CH2' ' A' ' 52' ' ' TRP . 88.9 t -96.11 -22.6 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.92 -22.42 19.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.513 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -59.41 -51.14 83.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.4 Cg_endo -74.98 -43.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 48' ' ' LEU . 32.5 mt -51.28 -46.91 62.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -68.51 -41.07 80.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.468 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 8.3 mm-40 -54.18 -28.75 42.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.433 ' CB ' ' HD3' ' A' ' 109' ' ' LYS . . . -77.64 -44.85 26.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' CYS . 21.2 tp -57.61 -67.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -36.49 -37.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.96 -52.29 13.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' LEU . 3.1 p -51.4 -33.13 28.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.332 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -39.99 -60.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.587 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.43 ' O ' ' CD2' ' A' ' 32' ' ' HIS . . . -89.76 49.1 3.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.569 ' CD2' HD23 ' A' ' 112' ' ' LEU . 22.7 m-70 -164.81 -71.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.613 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' CYS . 11.4 m -70.93 146.63 49.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.446 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.63 156.08 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -64.74 -60.02 3.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.414 ' N ' ' HD2' ' A' ' 35' ' ' LYS . 43.0 mt-30 -38.94 -45.69 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.458 HG12 ' CD1' ' A' ' 41' ' ' ILE . 98.6 t -67.35 -52.94 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.6 t -51.5 -54.8 23.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.317 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -52.75 -37.57 59.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -68.37 -59.49 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.458 ' CD1' HG12 ' A' ' 37' ' ' VAL . 32.6 mt -50.13 -59.34 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.235 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.4 p -45.16 -54.33 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -48.23 -41.14 26.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.262 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.412 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 64.2 mmt-85 -66.41 -30.05 70.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.426 ' C ' ' N ' ' A' ' 47' ' ' LEU . 22.5 mt -67.05 -57.0 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.13 -28.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 50' ' ' GLU . 1.3 tt -79.41 -62.81 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.501 ' HB2' ' CE3' ' A' ' 98' ' ' TRP . 12.6 tp -42.21 -33.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -75.75 -44.07 43.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.5 pt-20 -67.05 -42.34 84.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.446 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 63.4 mt-30 -69.31 -39.42 78.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.584 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 1.8 t90 -64.76 -57.67 8.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.013 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -63.53 -58.97 5.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.27 -31.57 0.07 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 93.07 24.62 22.0 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -92.13 -6.4 50.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.428 ' CD1' ' HA ' ' A' ' 52' ' ' TRP . 88.5 mt -96.4 137.85 34.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.518 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -72.63 158.68 35.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.986 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 3.6 mt -61.96 -45.34 91.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -74.95 -3.27 13.67 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.419 HG23 ' ND1' ' A' ' 91' ' ' HIS . 2.6 t -90.72 -25.84 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.584 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 6.5 mttt -87.46 -41.58 13.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -37.2 83.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.471 ' O ' ' CG2' ' A' ' 83' ' ' ILE . 2.0 mtt180 -73.69 -26.14 60.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.401 ' HE3' ' CD1' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -73.23 -54.78 7.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.45 -38.12 28.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.6 mt -53.9 -65.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.61 -41.61 22.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.473 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 50.6 t -61.7 -63.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 69' ' ' VAL . 36.7 mm-40 -38.7 -39.14 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.469 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 8.2 mm-40 -68.74 -52.55 29.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.39 -27.53 6.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.1 mt -71.05 -48.7 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.463 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 10.1 m-70 -76.09 -1.86 28.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.625 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.495 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.4 m170 85.57 -2.81 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.582 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -65.41 73.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.1 m95 -67.46 -38.96 85.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.038 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.23 -38.08 65.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.469 ' HB1' ' CG ' ' A' ' 71' ' ' GLU . . . -74.28 -50.32 19.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.99 -52.09 5.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -51.35 69.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -45.74 -54.1 8.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 64' ' ' ARG . 9.6 mt -65.61 -49.95 74.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.44 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -49.76 -37.98 32.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.554 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -69.92 -53.35 18.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.4 m -48.5 -30.05 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 64' ' ' ARG . 9.2 mt -77.56 -42.73 34.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -9.1 40.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 71.6 t -76.91 -61.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -94.18 -69.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.419 ' ND1' HG23 ' A' ' 61' ' ' VAL . 4.3 m-70 -76.57 60.34 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.635 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.8 p -79.16 -43.87 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.16 -52.85 14.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -45.46 -54.02 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.575 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 13.3 m -64.65 -32.55 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 p -53.35 171.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.409 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 1.8 mt-30 75.58 1.59 3.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.575 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 69.6 p-90 -166.35 -44.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.027 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 33.8 tpp -37.97 -50.11 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.9 m -41.87 -43.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -62.27 -71.02 0.88 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 101' ' ' GLY . 81.9 t -40.13 -52.89 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -57.42 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -57.18 -49.57 75.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.35 -58.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.0 mt -41.26 -63.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.18 -55.82 3.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -51.1 -61.15 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.433 ' HD3' ' CB ' ' A' ' 25' ' ' ALA . 28.9 mmmt -44.59 -54.19 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -50.96 -49.87 59.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.42 -53.73 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 32' ' ' HIS . 86.9 mt -43.81 -64.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.14 -62.23 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 75.35 75.88 0.8 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 153.61 42.2 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.536 1.808 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 76.6 p -55.05 125.54 20.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.7 m -62.38 159.9 14.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 0.0 110.954 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 p -74.6 170.12 16.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.949 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.64 -58.79 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.59 -171.98 24.42 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 m -139.64 150.73 45.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.13 152.67 32.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.04 124.47 1.37 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 p -171.43 154.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.8 mt 66.2 137.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -101.09 166.19 10.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.13 -59.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.981 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 62.15 108.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 m -119.28 136.02 54.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -84.08 139.95 32.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.577 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 13.9 tt -61.33 -41.24 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.495 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 2.5 mm-40 -67.02 -20.93 65.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.14 -29.5 48.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.547 HG23 ' CH2' ' A' ' 52' ' ' TRP . 37.2 t -91.21 -19.46 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.57 -30.14 15.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -48.74 -51.71 51.43 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.3 Cg_endo -75.01 -50.94 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.474 HD13 ' CD2' ' A' ' 48' ' ' LEU . 10.8 mt -46.51 -40.57 12.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -73.97 -44.57 54.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -51.5 -43.95 62.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.496 ' CB ' HD23 ' A' ' 105' ' ' LEU . . . -61.93 -50.09 73.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 29' ' ' CYS . 18.4 tp -51.16 -57.52 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -39.97 -38.51 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.87 -48.97 32.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' THR . 61.4 m -58.83 -52.75 64.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.267 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.88 -31.17 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.547 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.81 35.41 4.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -160.8 -63.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 0.742 . . . . 0.0 109.574 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.498 ' CG2' ' OE2' ' A' ' 108' ' ' GLU . 3.4 m -68.43 166.07 17.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.422 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' N ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -51.5 171.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -44.36 12.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -69.98 -30.97 68.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.1 t -75.57 -40.73 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 9.0 t -65.93 -52.47 49.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 108.321 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -34.37 57.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -65.48 -47.75 75.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.8 mt -58.41 -56.99 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.93 -47.94 32.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -46.8 -40.29 13.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 4.3 mmt180 -70.07 -50.49 40.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 mt -49.05 -53.83 18.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.25 -46.27 4.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.401 ' CD2' ' HG3' ' A' ' 51' ' ' GLN . 3.6 tt -69.63 -55.97 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.474 ' CD2' HD13 ' A' ' 22' ' ' LEU . 2.8 tp -40.48 -52.42 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' TRP . 10.8 ttt180 -61.95 -64.72 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -40.78 -50.76 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -62.04 -40.81 97.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.589 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.0 t90 -63.17 -62.18 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 108.041 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.409 ' N ' HD13 ' A' ' 15' ' ' ILE . . . -54.53 -59.83 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -37.6 -36.38 0.27 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.25 25.98 10.59 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -85.37 -32.29 22.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 0.727 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.6 mt -70.91 142.9 51.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.518 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -77.33 159.14 29.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.607 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 3.5 mt -60.21 -45.99 97.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.97 -6.12 17.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.519 HG22 ' CG ' ' A' ' 91' ' ' HIS . 6.4 t -89.38 -21.25 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.589 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -91.48 -43.49 9.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.438 ' NZ ' ' CG2' ' A' ' 59' ' ' ILE . 3.6 mtmt -54.89 -35.97 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -35.63 61.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.468 ' HE1' ' CD1' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.61 -54.85 33.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.35 -37.88 50.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.4 mt -58.42 -67.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 84' ' ' HIS . 5.2 tt -42.36 -42.67 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.445 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 59.1 t -62.09 -51.37 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -49.03 -30.53 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' CD ' ' CB ' ' A' ' 79' ' ' ALA . 4.3 mm-40 -78.05 -41.42 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.89 -21.39 65.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.9 mt -79.22 -37.29 38.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -87.17 -2.55 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.607 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.3 m170 79.94 11.38 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.63 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -79.73 52.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.505 ' CG ' ' HB2' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -43.66 -55.02 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 107.977 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.24 -53.19 5.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.446 ' CB ' ' CD ' ' A' ' 71' ' ' GLU . . . -59.29 -51.64 69.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.476 ' CB ' ' HG ' ' A' ' 68' ' ' LEU . . . -47.82 -46.61 31.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -55.88 29.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -40.03 -52.13 2.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 68' ' ' LEU . 18.2 mt -59.01 -60.44 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.48 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -40.17 -48.33 2.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.575 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 88' ' ' MET . 15.4 mmt180 -54.13 -54.26 41.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.1 m -48.39 -35.9 13.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' HIS . 7.7 mt -72.2 -33.21 67.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.441 ' O ' ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -74.95 -7.95 55.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 79.3 t -79.63 -58.04 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -95.67 -70.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.519 ' CG ' HG22 ' A' ' 61' ' ' VAL . 1.7 m-70 -79.37 63.72 4.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.591 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 88' ' ' MET . 2.1 p -86.05 -16.15 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 96' ' ' SER . 1.0 OUTLIER -95.52 -61.98 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.469 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -43.65 -52.84 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 15.7 m -62.2 -35.16 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.479 ' O ' ' CD1' ' A' ' 98' ' ' TRP . 1.1 p -51.66 178.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 96' ' ' SER . 0.9 OUTLIER 69.16 3.84 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.565 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.9 p-90 -167.96 -42.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.01 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.483 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -35.83 -34.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.437 ' CG2' ' N ' ' A' ' 101' ' ' GLY . 18.4 m -57.25 -53.62 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -48.72 -55.78 10.73 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.471 HG21 ' CE3' ' A' ' 98' ' ' TRP . 61.3 t -46.18 -53.64 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -46.58 -46.23 19.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -65.74 -52.27 52.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.496 HD23 ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -46.82 -51.86 15.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 76.3 mt -51.1 -63.96 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.37 -45.68 55.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.498 ' OE2' ' CG2' ' A' ' 33' ' ' THR . 2.5 mt-10 -55.94 -61.95 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.465 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 9.8 mmmt -45.24 -58.29 3.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.505 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 2.1 ttpm? -50.97 -51.7 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.6 -55.27 9.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.8 mt -42.28 -58.18 2.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.1 t -40.81 -64.57 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 124.96 96.56 1.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 173.28 14.78 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 37.7 p -121.38 135.74 55.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.8 t -156.7 153.68 28.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.0 93.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 110.065 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -164.06 169.72 17.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.91 119.22 1.5 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 t -155.97 131.82 9.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.974 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.3 m -99.14 139.64 34.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.026 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.04 -69.13 0.22 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.2 t -92.15 67.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 tt -68.57 178.12 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 61.59 123.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 t 68.92 57.35 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -176.54 106.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.436 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 2.0 m -122.44 136.34 54.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mt -99.97 148.59 24.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.357 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.561 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 16.5 tt -60.48 -46.26 95.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.497 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 39.3 mt-10 -67.39 -19.68 65.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.06 -29.43 43.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.585 HG21 ' CH2' ' A' ' 52' ' ' TRP . 43.7 t -93.39 -18.61 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.75 -28.41 16.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.505 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -51.3 -51.28 70.15 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.4 Cg_endo -75.0 -50.04 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.546 1.814 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.455 ' CD1' ' CD2' ' A' ' 48' ' ' LEU . 10.5 mt -47.7 -42.03 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.21 -42.72 59.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -53.28 -42.95 67.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.469 ' CB ' ' HD3' ' A' ' 109' ' ' LYS . . . -62.1 -53.85 49.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.9 tp -41.9 -53.91 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -43.08 -44.18 4.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -63.8 -53.35 52.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' THR . 88.9 m -55.97 -43.87 77.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 108.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.17 -62.36 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.635 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -91.3 49.2 2.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.502 ' CG ' HD21 ' A' ' 112' ' ' LEU . 27.0 m-70 -163.37 -70.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 109.616 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' CYS . 2.5 m -71.02 155.78 40.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm -46.6 164.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -71.93 -57.9 3.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.51 -59.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.7 t -48.5 -57.98 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.0 t -50.14 -52.76 32.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.42 -40.81 60.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -68.49 -62.19 1.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.4 mt -41.86 -51.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.1 p -60.01 -46.53 89.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.7 -36.64 25.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.467 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 4.2 mmt180 -70.91 -46.38 62.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.404 ' C ' ' N ' ' A' ' 47' ' ' LEU . 15.3 mt -47.24 -54.75 10.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.03 -24.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 50' ' ' GLU . 1.4 tt -85.73 -60.47 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.455 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 11.0 tp -43.54 -34.74 1.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 -73.75 -41.03 63.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.8 pt-20 -68.29 -41.17 81.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.417 ' N ' ' CG ' ' A' ' 50' ' ' GLU . 49.7 mt-30 -71.32 -38.68 71.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.601 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.2 t-105 -66.19 -57.91 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 108.029 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -64.84 -58.26 6.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.66 -32.27 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 91.97 21.01 34.52 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -9.69 53.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.4 mt -89.07 153.43 20.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.519 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 13.5 p -90.33 156.74 18.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.0 mt -58.95 -45.66 99.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.99 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.493 ' CG2' ' OG ' ' A' ' 58' ' ' SER . 1.9 t -90.92 -25.81 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.601 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 5.2 mttt -87.71 -40.21 14.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -38.5 91.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -74.75 -27.35 60.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.42 ' HE1' ' CD1' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -70.6 -55.08 9.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.957 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.09 -39.2 55.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.1 mt -52.85 -65.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.09 -41.36 17.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.553 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 50.9 t -62.17 -63.97 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 69' ' ' VAL . 85.3 mm-40 -38.17 -40.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.348 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.483 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 8.2 mm-40 -67.2 -53.04 34.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tt -52.11 -31.3 30.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.5 mt -65.55 -47.8 74.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.512 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 6.8 m170 -76.64 -1.77 29.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.589 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.516 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 3.2 m170 89.0 -7.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -61.64 83.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.516 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -77.82 -31.03 51.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -35.74 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB1' ' CG ' ' A' ' 71' ' ' GLU . . . -77.38 -49.27 15.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.84 -52.64 6.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.28 -52.87 62.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -42.9 -49.3 5.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.413 HD13 ' N ' ' A' ' 68' ' ' LEU . 16.6 mt -70.55 -54.91 16.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -43.72 -42.48 5.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.581 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -65.74 -46.37 79.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.1 m -55.06 -28.31 51.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.5 mt -78.27 -42.72 30.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.406 ' O ' ' CG2' ' A' ' 92' ' ' VAL . 98.6 mmm -68.07 -8.34 37.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 68.8 t -79.13 -60.14 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -95.75 -69.61 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.421 ' ND1' HG22 ' A' ' 61' ' ' VAL . 6.5 m-70 -77.8 64.65 3.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.599 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 88' ' ' MET . 2.0 p -91.72 -30.71 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -83.9 -19.22 35.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -81.95 -61.59 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.507 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 24.0 m -55.24 -40.27 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 66.5 p -45.79 163.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.9 tt0 84.62 -0.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.507 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 69.0 p-90 -165.51 -44.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 108.062 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' TRP . 29.8 tpp -36.35 -36.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.467 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 27.5 m -48.95 -50.16 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -59.2 -61.79 6.92 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.5 t -48.97 -52.12 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 0.743 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.23 -54.74 4.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.424 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -60.01 -47.93 83.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.46 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -40.88 -57.93 1.83 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 65.3 mt -41.12 -66.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.66 -54.16 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -53.08 -64.06 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.469 ' HD3' ' CB ' ' A' ' 25' ' ' ALA . 4.9 mmmt -42.66 -59.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.42 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 11.4 tttm -52.79 -47.76 67.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.81 -51.28 40.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.502 HD21 ' CG ' ' A' ' 32' ' ' HIS . 45.8 mt -50.47 -63.47 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.61 -40.32 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.08 88.16 0.15 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -57.06 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -120.05 137.9 53.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.91 110.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.1 m -91.02 -60.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 p 54.78 170.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.22 138.81 18.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.68 61.46 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.6 m -111.96 -63.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.41 -165.13 12.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -165.63 147.92 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.7 mt 52.74 82.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -169.33 120.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.2 m 48.5 91.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.024 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.54 -178.93 4.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.252 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -135.63 144.01 45.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.408 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -105.34 141.88 36.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.409 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 8.7 tt -59.96 -39.15 79.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.37 -9.21 39.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.93 -22.76 15.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.569 HG22 ' CH2' ' A' ' 52' ' ' TRP . 57.5 t -96.16 -22.21 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.55 -36.41 13.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 2.2 mmt180 -44.41 -51.22 20.74 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.3 Cg_endo -75.0 -52.32 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.412 HD12 ' CD2' ' A' ' 48' ' ' LEU . 13.6 mt -48.13 -38.97 19.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.06 -40.69 64.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 6.4 mm-40 -53.69 -25.4 18.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.433 ' HB2' ' CD2' ' A' ' 105' ' ' LEU . . . -76.9 -51.96 10.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' CYS . 27.0 tp -43.64 -66.74 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.84 -48.64 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -43.01 73.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LEU . 59.9 m -65.74 -44.52 85.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -54.23 -20.91 7.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.637 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.18 22.3 25.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.519 ' CG ' HD23 ' A' ' 112' ' ' LEU . 44.2 m-70 -156.96 -70.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 109.643 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.523 HG23 ' CG2' ' A' ' 37' ' ' VAL . 6.6 m -58.09 156.01 10.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.421 ' N ' HG11 ' A' ' 37' ' ' VAL . 1.7 mmpt? -55.47 -166.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -92.37 -66.71 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -42.38 -42.46 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.523 ' CG2' HG23 ' A' ' 33' ' ' THR . 5.6 p -58.17 -57.37 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.63 -53.36 58.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 108.269 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -45.29 -31.04 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.66 -64.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.474 ' CD1' ' OE1' ' A' ' 108' ' ' GLU . 39.2 mt -45.81 -59.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 p -46.38 -48.91 18.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -35.39 61.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.464 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 19.1 mmt180 -74.78 -33.53 62.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -62.91 -58.1 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.03 -41.71 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 97' ' ' GLN . 1.3 tt -69.09 -54.14 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.518 ' HB2' ' CE3' ' A' ' 98' ' ' TRP . 7.2 tp -40.6 -44.85 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -67.99 -49.14 63.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 54' ' ' GLY . 38.3 mt-10 -55.6 -50.21 70.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -66.07 -37.69 86.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.595 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 1.8 t-105 -65.61 -63.59 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -58.14 -56.33 23.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -35.99 -37.71 0.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.75 4.39 48.85 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' O ' ' CD ' ' A' ' 94' ' ' GLU . 2.0 mmmt -66.23 -23.28 66.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.0 mt -82.62 145.96 29.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.539 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 15.3 p -81.04 157.45 25.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.613 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.3 mt -59.4 -45.56 98.97 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.04 -3.46 13.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.657 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.0 t -90.99 -26.56 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.595 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 4.5 mttt -86.54 -41.47 14.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -35.97 80.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -72.8 -43.62 62.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -53.98 -58.61 6.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.28 -37.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mt -58.04 -62.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -48.67 -39.74 25.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.452 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 42.4 t -62.49 -64.34 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' VAL . 33.9 mm-40 -37.98 -39.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.475 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 8.7 mm-40 -69.95 -52.72 22.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tt -52.54 -23.79 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.4 mt -73.86 -47.84 35.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 13.2 m170 -77.08 -2.04 32.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.6 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 74' ' ' HIS . 1.4 m170 88.62 -5.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.26 80.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.51 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.1 m95 -74.87 -32.73 61.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 108.01 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -60.71 -37.28 81.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.475 ' HB2' ' CG ' ' A' ' 71' ' ' GLU . . . -74.22 -49.84 21.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.73 -49.77 27.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.92 -38.97 80.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -57.83 -60.61 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.1 mt -59.92 -37.47 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.65 -42.34 92.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.602 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.496 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 22.9 mmt180 -60.35 -53.14 61.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -53.29 -45.39 68.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 110.031 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 mt -64.34 -37.45 87.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.5 ' O ' ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -80.32 -8.85 59.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 85' ' ' ARG . 78.6 t -87.01 -43.36 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -95.4 -69.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.657 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 1.9 m-70 -90.25 66.16 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 88' ' ' MET . 1.5 p -78.83 -18.68 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.433 ' O ' ' CB ' ' A' ' 96' ' ' SER . 40.2 p -89.44 -60.29 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 56' ' ' LYS . 5.9 mm-40 -43.55 -55.25 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.576 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 14.6 m -60.21 -32.72 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.463 ' O ' ' CD1' ' A' ' 98' ' ' TRP . 1.4 p -54.01 172.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.474 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 2.3 mt-30 73.31 7.59 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.576 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 64.7 p-90 -171.74 -42.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.507 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -36.51 -48.96 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.971 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.464 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 29.0 m -40.0 -46.28 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -59.42 -64.88 3.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.485 HG22 ' CE3' ' A' ' 98' ' ' TRP . 88.5 t -40.65 -54.19 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -44.67 -51.3 9.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -64.15 -55.15 23.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.456 ' CD1' HG23 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -42.59 -49.84 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.0 mt -46.33 -67.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.25 -47.91 46.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.474 ' OE1' ' CD1' ' A' ' 41' ' ' ILE . 23.7 mt-10 -51.48 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.502 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 22.4 mmmt -40.94 -54.04 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.491 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 74.9 tttt -51.52 -49.08 62.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.94 -49.27 15.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.519 HD23 ' CG ' ' A' ' 32' ' ' HIS . 35.1 mt -52.08 -46.73 65.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.7 -147.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.48 77.2 1.2 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 167.5 26.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.478 1.778 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.8 t -140.57 -69.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.21 162.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.055 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -173.78 147.81 1.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.19 149.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.12 124.52 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.564 1.165 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 m -159.81 143.33 14.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.951 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -95.16 171.09 8.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.39 132.0 2.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 p -162.6 104.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 10' ' ' GLU . 38.3 mm -110.48 139.3 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.406 ' N ' HG23 ' A' ' 9' ' ' ILE . 34.4 mt-10 -110.88 114.18 27.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -177.8 97.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -58.3 122.55 13.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.256 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.536 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 2.0 m -124.89 141.16 52.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.456 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mt -107.39 149.0 28.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.573 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 16.5 tt -56.57 -48.85 79.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 47.1 mt-10 -65.46 -10.13 31.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.23 -23.08 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.585 HG21 ' CH2' ' A' ' 52' ' ' TRP . 99.8 t -96.03 -22.63 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.02 -34.1 13.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.541 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 1.1 mmt85 -45.45 -49.14 34.88 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 20' ' ' ARG . 18.2 Cg_endo -75.02 -59.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.465 ' CD1' ' HE2' ' A' ' 65' ' ' MET . 21.2 mt -45.17 -33.96 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -68.01 -55.2 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.489 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -46.6 -24.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.489 ' N ' ' HG3' ' A' ' 24' ' ' GLN . . . -74.55 -58.12 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 42' ' ' SER . 33.2 tp -42.3 -65.91 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' OE2' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -46.29 -42.85 15.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.453 ' N ' ' OE2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -64.03 -37.77 88.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.7 m -69.74 -48.86 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.306 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -48.72 -35.15 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.543 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.43 36.23 4.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -167.29 -76.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.603 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -60.9 153.58 24.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -48.51 172.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.62 -61.6 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -41.79 -39.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.03 -56.55 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -52.36 -51.01 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.352 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -49.08 -42.8 40.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.32 -63.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.8 mt -41.95 -65.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.47 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 78.8 p -43.74 -55.59 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -35.81 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.47 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 20.6 mmt-85 -74.39 -49.94 20.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.2 mt -48.46 -51.08 28.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.34 -30.71 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 50' ' ' GLU . 4.4 tt -79.24 -61.63 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.544 HD23 ' CZ3' ' A' ' 98' ' ' TRP . 14.6 tp -40.92 -35.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -74.28 -45.41 47.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.6 pt-20 -64.33 -39.75 94.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.454 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 56.5 mt-30 -71.63 -36.95 70.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.612 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.1 t90 -67.12 -56.05 11.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -66.52 -57.25 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.08 -33.65 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 93.86 28.87 10.44 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -96.46 -12.24 24.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 0.733 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 52' ' ' TRP . 94.6 mt -88.58 144.56 26.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.534 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -83.76 152.36 24.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.973 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.9 mt -56.77 -45.24 99.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.02 -5.07 16.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.484 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 1.0 OUTLIER -91.11 -17.97 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.612 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -93.93 -50.55 5.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -28.77 52.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.86 -37.27 27.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.465 ' HE2' ' CD1' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -61.76 -60.54 3.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -38.8 -35.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 mt -53.22 -63.24 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.81 -42.07 46.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.448 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 41.4 t -60.82 -63.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' VAL . 67.5 mm-40 -37.73 -37.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 79' ' ' ALA . 7.9 mm-40 -71.44 -51.23 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 69' ' ' VAL . 2.0 tt -52.48 -21.39 3.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.5 mt -76.47 -47.8 21.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.491 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 7.8 m170 -78.0 -1.95 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.535 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.7 m170 86.44 -2.17 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.598 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -65.69 72.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.535 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -67.86 -37.21 81.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 108.012 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.27 -32.15 64.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.464 ' HB3' ' CG ' ' A' ' 71' ' ' GLU . . . -80.75 -49.21 11.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.57 -49.3 5.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -64.84 -42.43 94.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.29 -58.21 5.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.1 mt -63.31 -50.26 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.474 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -44.8 -50.54 10.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.604 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 88' ' ' MET . 23.7 mmt180 -55.29 -63.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.8 m -46.53 -36.54 6.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mt -71.96 -35.73 69.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 85' ' ' ARG . 11.5 ttm -81.16 -9.25 59.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.2 t -76.69 -53.52 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -95.38 -68.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.484 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 33.0 m-70 -75.58 62.2 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.573 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.7 p -88.37 -25.99 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -87.06 -9.65 54.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.401 ' OE1' ' OG ' ' A' ' 58' ' ' SER . 8.5 mt-10 -97.61 -61.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.356 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.541 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 11.6 m -55.93 -43.59 75.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 28.9 p -46.04 160.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.499 ' CB ' ' O ' ' A' ' 96' ' ' SER . 4.6 tt0 86.53 0.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.544 ' CZ3' HD23 ' A' ' 48' ' ' LEU . 69.4 p-90 -166.15 -43.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -34.84 -42.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.461 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 24.9 m -44.22 -50.25 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -54.91 -58.53 13.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 92.7 t -47.92 -53.35 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -42.02 -49.13 4.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -70.41 -50.48 38.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -40.77 -52.53 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 34.1 mt -46.13 -70.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -44.94 -50.11 10.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -51.93 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.254 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.453 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 8.7 mmmt -46.43 -47.54 19.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.511 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 15.9 tttp -51.37 -46.96 62.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.48 -63.16 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -40.56 -53.21 2.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.9 t -39.73 -62.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.0 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -174.23 -96.23 0.1 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 157.47 42.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.3 t -123.57 155.11 38.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 53.7 p -52.57 110.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.992 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -155.07 153.54 31.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 0.0 109.985 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -60.17 166.67 2.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.41 -158.99 24.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.557 1.16 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -159.43 145.61 16.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -103.16 -54.9 2.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.983 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.97 172.23 47.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 p -163.69 138.02 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.792 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.7 mt -136.59 130.96 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -145.7 120.05 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.4 t -131.09 -91.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -114.06 107.36 15.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.456 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 2.8 m -95.13 137.83 33.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.385 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mt -104.22 157.74 16.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.566 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 20.5 tt -60.71 -57.48 11.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.485 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 33.3 mt-10 -60.14 -14.64 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.29 -36.36 34.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.565 HG23 ' CH2' ' A' ' 52' ' ' TRP . 59.3 t -89.21 -15.1 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.06 -43.23 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.486 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -39.33 -52.18 4.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.496 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 18.1 Cg_endo -75.06 -57.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.415 HD12 ' CE ' ' A' ' 65' ' ' MET . 9.7 mt -44.24 -33.86 1.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -78.68 -40.77 32.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.654 ' NE2' ' HZ2' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -49.41 -23.56 1.56 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 110.249 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.475 ' N ' ' HG3' ' A' ' 24' ' ' GLN . . . -78.19 -54.8 5.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' HIS . 14.9 tp -44.49 -58.06 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -48.98 -49.6 39.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -35.31 75.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' THR . 51.5 m -75.25 -27.67 59.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.286 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -67.66 -10.23 50.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.593 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 32' ' ' HIS . . . -127.16 29.92 4.22 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 31' ' ' GLY . 63.6 m-70 -162.22 -44.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 109.572 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.511 HG23 ' CG2' ' A' ' 37' ' ' VAL . 25.3 m -86.74 148.47 25.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.352 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.405 ' O ' ' CG1' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -51.62 -178.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -83.08 -65.35 1.02 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' LYS . 6.5 mp0 -37.85 -52.63 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.511 ' CG2' HG23 ' A' ' 33' ' ' THR . 2.4 p -47.08 -62.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.425 ' SG ' ' CD1' ' A' ' 26' ' ' LEU . 48.7 t -43.58 -63.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 38' ' ' CYS . 8.0 t70 -39.97 -35.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 37' ' ' VAL . 7.6 t70 -73.35 -65.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.8 mt -47.77 -60.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.9 p -46.88 -55.51 7.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.986 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.15 -37.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.479 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 22.6 mmt-85 -72.25 -48.73 40.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.5 mt -50.98 -53.32 34.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.28 -40.42 2.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.466 ' CD1' ' OE1' ' A' ' 97' ' ' GLN . 3.8 tt -73.68 -50.93 18.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.521 HD11 ' CH2' ' A' ' 98' ' ' TRP . 13.7 tp -42.1 -53.35 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -61.47 -50.81 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -53.04 -47.74 68.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.459 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 1.2 mt-30 -65.83 -37.72 86.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.606 ' CZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.3 t-105 -65.48 -62.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -59.12 -58.81 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.49 -35.76 0.13 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.45 29.08 9.73 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.46 -15.81 23.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.8 mt -83.18 151.3 25.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.533 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 10.9 p -87.23 156.92 19.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.0 mt -60.46 -45.15 97.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.01 -3.21 13.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.518 HG22 ' CG ' ' A' ' 91' ' ' HIS . 2.0 t -91.36 -22.98 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.606 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 7.8 mttt -91.6 -41.97 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.428 ' NZ ' ' HB ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -62.68 -34.63 77.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -75.11 -42.66 56.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' ' 66' ' ' ALA . 22.0 mmm -55.51 -60.38 3.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -38.71 -36.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.412 ' N ' HD22 ' A' ' 67' ' ' LEU . 7.4 mt -57.8 -62.5 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.429 ' CD1' ' HB2' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -51.52 -40.02 58.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.456 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 38.2 t -61.02 -63.58 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -40.17 -42.44 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.468 ' CG ' ' HB3' ' A' ' 79' ' ' ALA . 10.2 mm-40 -65.77 -54.74 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tt -50.93 -31.27 17.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' A' ' 21' ' ' PRO . 91.1 mt -66.78 -43.79 83.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 6.3 m170 -82.37 -1.81 51.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.61 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.484 ' CB ' ' O ' ' A' ' 74' ' ' HIS . 2.6 m170 85.94 -1.07 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.624 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -66.13 71.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.443 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 1.5 m95 -63.56 -48.78 76.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 107.972 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -45.26 -43.24 10.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HB3' ' CG ' ' A' ' 71' ' ' GLU . . . -70.97 -50.54 33.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -44.56 -49.97 9.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.2 -42.16 99.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.5 -57.31 8.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.4 mt -63.98 -48.44 86.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.429 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -48.15 -39.18 19.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.562 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -66.61 -55.13 16.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.8 m -47.22 -34.32 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 91' ' ' HIS . 6.1 mt -74.42 -42.88 58.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.402 ' HG3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -66.3 -8.5 25.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 56.6 t -80.18 -62.86 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.6 -70.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.518 ' CG ' HG22 ' A' ' 61' ' ' VAL . 15.3 m-70 -77.26 61.22 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 93' ' ' THR . 5.9 p -84.3 -51.76 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.479 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -65.53 -35.65 81.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -59.89 -46.63 88.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 19.3 m -79.24 -25.19 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.405 ' O ' ' CD1' ' A' ' 98' ' ' TRP . 10.8 p -54.53 174.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.024 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.466 ' OE1' ' CD1' ' A' ' 47' ' ' LEU . 0.1 OUTLIER 73.04 1.2 3.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.569 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.8 p-90 -165.69 -43.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 107.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.407 ' O ' ' SD ' ' A' ' 99' ' ' MET . 25.1 tpp -37.4 -33.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 27.1 m -53.29 -47.49 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.64 -62.71 6.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 74.2 t -40.79 -48.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -48.93 -49.79 38.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 101' ' ' GLY . 18.8 tpp180 -66.92 -47.29 72.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.463 HD23 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -45.96 -50.88 14.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.1 mt -49.26 -63.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.12 -63.26 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -47.1 -59.84 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.654 ' HZ2' ' NE2' ' A' ' 24' ' ' GLN . 26.9 mmmt -45.03 -58.81 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.443 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 3.2 tttt -50.65 -49.03 58.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -51.4 64.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 32' ' ' HIS . 47.0 mt -43.58 -63.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.6 -44.12 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.034 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 61.38 78.18 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 114.07 3.94 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.449 1.763 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.47 97.01 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.41 125.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mt -136.06 148.34 48.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.4 tt -56.83 -44.23 81.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.97 -7.71 48.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.33 -32.08 15.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.879 HG21 ' CH2' ' A' ' 52' ' ' TRP . 40.6 t -92.9 -18.64 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -91.07 -39.27 12.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.492 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -40.41 -51.89 6.21 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.731 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.03 -58.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 48' ' ' LEU . 12.4 mt -44.58 -33.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' LEU . 24.6 mt-10 -82.02 -43.24 18.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -55.65 -27.28 48.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.507 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -73.3 -55.72 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.499 HD22 HD12 ' A' ' 45' ' ' LEU . 29.7 tp -40.25 -66.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -39.68 -43.31 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -49.81 76.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' LEU . 67.3 m -64.66 -45.66 85.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 108.324 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -43.95 -36.0 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 32' ' ' HIS . . . -104.06 43.2 1.72 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.44 ' CG ' ' O ' ' A' ' 31' ' ' GLY . 6.9 m80 -168.8 -67.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.59 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.9 m -69.52 157.69 36.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.11 154.86 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -24.95 61.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -77.31 -49.98 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.0 t -63.26 -42.8 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.5 t -66.62 -42.1 87.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 108.292 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -57.76 -41.61 82.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -59.28 -55.6 32.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.3 mt -50.89 -62.03 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.477 ' OG ' HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -40.73 -59.11 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.58 -43.56 5.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 40.8 mmt-85 -64.42 -40.91 96.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.499 HD12 HD22 ' A' ' 26' ' ' LEU . 12.8 mt -55.0 -56.09 23.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.04 -43.0 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.939 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.2 tt -66.3 -55.69 14.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.564 ' CD2' HD13 ' A' ' 22' ' ' LEU . 17.7 tp -41.56 -55.65 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -57.23 -53.95 52.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' GLY . 46.3 mm-40 -52.55 -53.14 50.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -63.71 -36.34 83.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.879 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.1 t90 -66.52 -64.15 0.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 108.026 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -56.81 -57.68 11.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.95 -43.93 0.92 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.44 19.98 10.02 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.59 -10.84 58.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 52' ' ' TRP . 54.4 mt -94.56 150.96 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.544 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -84.84 159.23 20.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.017 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.6 mt -62.3 -44.8 89.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.06 -5.17 16.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.54 ' CG2' ' ND1' ' A' ' 91' ' ' HIS . 2.2 t -90.69 -17.7 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.6 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -94.06 -50.41 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -29.96 59.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.449 ' O ' HG21 ' A' ' 83' ' ' ILE . 2.0 mtt180 -75.62 -42.26 52.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.532 ' CE ' HD11 ' A' ' 22' ' ' LEU . 20.0 mmm -57.81 -57.08 14.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.47 -41.95 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.846 ' HB2' HG21 ' A' ' 83' ' ' ILE . 9.6 mt -51.17 -65.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.809 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -48.44 -42.31 31.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.809 ' N ' HD23 ' A' ' 68' ' ' LEU . 54.2 t -60.49 -63.59 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.46 ' HA ' HD12 ' A' ' 73' ' ' LEU . 48.3 mm-40 -39.46 -41.33 0.96 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.424 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 9.6 mm-40 -66.64 -54.22 25.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tt -50.02 -29.01 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.731 HD21 ' HB3' ' A' ' 21' ' ' PRO . 93.6 mt -70.17 -47.08 63.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.465 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 1.5 m170 -78.15 -1.95 35.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.581 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.495 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 4.3 m170 84.71 0.13 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 0.0 109.602 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -67.66 67.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.1 m95 -60.53 -44.57 95.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 107.992 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.79 -40.33 28.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 82' ' ' ASP . . . -73.09 -50.28 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.68 -54.11 3.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -60.0 -38.97 84.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 79' ' ' ALA . 4.1 t0 -54.4 -64.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.846 HG21 ' HB2' ' A' ' 67' ' ' LEU . 4.5 mt -57.64 -40.27 74.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.548 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -58.02 -38.13 75.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.675 ' O ' HG23 ' A' ' 89' ' ' VAL . 20.9 mmt85 -66.71 -50.5 62.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.2 p -52.06 -35.67 48.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.446 ' CD2' ' HB2' ' A' ' 91' ' ' HIS . 5.2 mt -73.39 -40.02 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -8.91 49.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 85' ' ' ARG . 71.4 t -79.34 -60.54 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -95.69 -69.29 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.54 ' ND1' ' CG2' ' A' ' 61' ' ' VAL . 25.1 m-70 -77.63 62.4 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.612 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.65 -44.73 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.62 -47.74 58.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.387 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.442 ' CD ' HG21 ' A' ' 61' ' ' VAL . 15.7 mt-10 -47.58 -56.39 7.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.593 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 17.3 m -63.55 -34.01 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 p -51.57 172.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.939 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.7 mt-30 73.47 3.58 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.593 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.4 p-90 -168.73 -43.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.42 ' CE ' ' HB ' ' A' ' 95' ' ' VAL . 31.8 tpp -36.78 -51.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.459 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 30.4 m -39.62 -45.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.19 -53.43 44.79 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.511 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 75.2 t -57.09 -53.06 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -40.14 -41.99 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 104' ' ' ARG . 0.3 OUTLIER -73.55 -50.42 21.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.507 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -43.18 -57.69 2.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.526 HD11 HD11 ' A' ' 68' ' ' LEU . 23.1 mt -41.04 -68.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.07 -54.09 4.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -51.19 -68.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.339 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.479 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 2.0 mmmt -43.32 -47.57 6.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -54.93 -58.23 8.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.58 -54.87 7.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.411 HD21 ' CG ' ' A' ' 32' ' ' HIS . 1.2 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.0 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.8 mt -114.13 150.25 34.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.401 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 17.8 tt -59.08 -42.01 85.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.94 -6.9 48.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.6 -29.2 15.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.931 HG21 ' CH2' ' A' ' 52' ' ' TRP . 44.8 t -93.7 -20.5 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.57 -34.58 13.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.509 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 1.6 mmt180 -44.74 -50.97 23.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.938 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.01 -52.33 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.572 HD13 ' CD2' ' A' ' 48' ' ' LEU . 11.7 mt -45.9 -38.29 7.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -71.11 -49.62 42.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -46.45 -44.12 17.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.488 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -64.28 -47.49 79.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.977 HD22 HD12 ' A' ' 45' ' ' LEU . 29.1 tp -50.02 -69.02 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -47.56 -48.97 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.87 -27.17 66.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' LEU . 1.3 m -81.32 -42.78 20.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -45.16 -42.69 9.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.65 -44.8 56.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.498 ' CE1' HD23 ' A' ' 112' ' ' LEU . 56.7 m80 -87.49 -86.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' CYS . 6.1 m -39.95 140.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.355 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.76 172.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -80.93 -54.26 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -48.62 -41.92 32.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.8 t -67.14 -57.14 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.44 -52.64 44.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 108.264 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -48.2 -39.97 22.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.85 -52.41 37.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.9 mt -55.28 -58.98 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.911 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -48.71 -40.83 29.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.051 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -35.43 66.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.474 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 18.4 mmt-85 -73.33 -47.57 41.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.977 HD12 HD22 ' A' ' 26' ' ' LEU . 14.9 mt -46.54 -52.15 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.57 -45.3 6.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 97' ' ' GLN . 2.9 tt -69.2 -50.21 49.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.674 HD13 ' CH2' ' A' ' 98' ' ' TRP . 10.0 tp -47.99 -49.85 29.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 52' ' ' TRP . 6.5 ttp180 -62.65 -63.17 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -40.27 -55.54 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -58.25 -37.13 74.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.931 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.3 t-105 -65.01 -64.6 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 107.994 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -54.17 -59.85 4.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -37.95 -31.72 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 89.54 29.93 15.05 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -90.48 -21.34 21.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 52' ' ' TRP . 75.2 mt -77.84 146.4 35.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.533 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -79.54 154.49 28.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 3.8 mt -59.07 -45.01 99.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -75.05 -4.3 15.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.645 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.2 t -90.93 -28.04 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.589 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 6.8 mttt -84.52 -40.12 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -38.16 87.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.503 ' O ' HG21 ' A' ' 83' ' ' ILE . 7.8 mtt-85 -70.22 -36.78 74.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.48 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.58 -57.69 9.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.983 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.76 -40.3 0.92 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.404 ' HB2' HG21 ' A' ' 83' ' ' ILE . 5.7 mt -53.37 -64.59 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.656 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -48.63 -43.59 36.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.656 ' N ' HD23 ' A' ' 68' ' ' LEU . 44.0 t -58.94 -61.24 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.64 ' HA ' HD12 ' A' ' 73' ' ' LEU . 46.2 mm-40 -41.8 -40.36 2.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.465 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 8.3 mm-40 -67.26 -53.1 33.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.53 HD21 ' HE2' ' A' ' 109' ' ' LYS . 2.0 tt -52.87 -25.99 13.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.938 HD21 ' HB3' ' A' ' 21' ' ' PRO . 82.6 mt -72.05 -41.01 67.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.497 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 1.1 m170 -85.42 -2.1 57.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.608 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.499 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.8 m170 86.95 -1.25 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.607 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -67.11 70.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.267 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.499 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -63.96 -43.61 95.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.026 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -37.91 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.465 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -75.78 -50.19 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.585 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -42.51 -54.17 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.74 -53.76 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -40.34 -58.98 1.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.503 HG21 ' O ' ' A' ' 64' ' ' ARG . 5.9 mt -63.11 -52.27 61.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.437 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -43.2 -50.08 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.576 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.87 ' O ' HG23 ' A' ' 89' ' ' VAL . 27.6 mmt180 -57.73 -54.38 47.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.7 m -53.39 -26.35 19.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.434 ' HB3' HG11 ' A' ' 95' ' ' VAL . 3.9 mt -82.3 -36.41 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.803 ' HG3' HG23 ' A' ' 92' ' ' VAL . 11.8 ttm -81.4 -9.93 59.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 85' ' ' ARG . 79.7 t -77.34 -53.16 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -95.53 -68.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.747 ' O ' HG22 ' A' ' 95' ' ' VAL . 31.5 m-70 -76.76 60.0 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.56 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.803 HG23 ' HG3' ' A' ' 88' ' ' MET . 3.1 p -82.42 -47.37 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.442 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -66.57 -16.08 63.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.407 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.46 ' OE1' HD23 ' A' ' 57' ' ' LEU . 28.0 mm-40 -90.31 -61.61 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.747 HG22 ' O ' ' A' ' 91' ' ' HIS . 26.1 m -58.73 -38.35 71.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 58.8 p -51.66 161.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.567 ' O ' HD13 ' A' ' 47' ' ' LEU . 4.7 tt0 85.9 1.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.679 ' HZ3' HG21 ' A' ' 102' ' ' VAL . 68.6 p-90 -166.45 -43.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 107.986 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 98' ' ' TRP . 0.4 OUTLIER -35.34 -43.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.449 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 28.6 m -43.49 -48.57 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.55 -59.49 10.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.128 . . . . 0.0 110.973 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.679 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 79.7 t -43.17 -50.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.547 ' HA ' HD12 ' A' ' 106' ' ' ILE . 6.6 tttt -47.26 -54.71 10.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -59.0 -52.64 64.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.488 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.8 OUTLIER -42.43 -51.38 4.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 103' ' ' LYS . 27.9 mt -49.8 -66.55 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -42.86 -62.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -49.19 -61.15 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.53 ' HE2' HD21 ' A' ' 72' ' ' LEU . 25.2 mmmt -42.99 -47.25 5.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -59.45 -47.09 86.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.85 -55.0 5.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.498 HD23 ' CE1' ' A' ' 32' ' ' HIS . 1.4 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.477 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 1.3 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mt -103.95 143.48 32.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.561 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 19.9 tt -53.35 -50.27 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 63.3 mt-10 -61.25 -26.89 68.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.349 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.28 -26.67 60.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.988 HG21 ' CH2' ' A' ' 52' ' ' TRP . 91.5 t -94.93 -19.78 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.5 OUTLIER -92.52 -33.17 14.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.508 ' CD ' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -45.72 -51.52 28.86 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.931 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.4 Cg_endo -75.02 -53.97 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.518 HD13 ' CD2' ' A' ' 48' ' ' LEU . 18.5 mt -45.41 -37.93 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -74.28 -44.35 53.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -50.74 -41.68 56.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.617 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -63.23 -48.89 76.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.845 HD21 ' HB3' ' A' ' 42' ' ' SER . 16.0 tp -48.02 -51.41 24.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.87 -47.12 8.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 32' ' ' HIS . 27.1 m-20 -64.82 -52.62 55.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.447 ' SG ' ' CG2' ' A' ' 33' ' ' THR . 2.1 t -53.81 -36.69 62.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 108.255 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -25.11 64.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.611 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.04 26.91 7.67 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' ASP . 85.5 m-70 -153.01 -78.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.648 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.447 ' CG2' ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -59.47 156.34 13.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -50.87 147.03 5.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -60.99 -46.88 88.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -46.37 -55.28 7.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.9 t -58.99 -40.72 81.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.1 t -59.11 -58.7 7.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.3 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -51.2 -25.73 5.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -81.08 -58.99 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.507 HG21 HD12 ' A' ' 105' ' ' LEU . 98.5 mt -46.92 -62.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.845 ' HB3' HD21 ' A' ' 26' ' ' LEU . 14.1 p -45.61 -52.42 10.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.54 -36.66 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.469 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 6.4 mmt180 -71.78 -49.15 41.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.62 HD12 HD22 ' A' ' 26' ' ' LEU . 14.1 mt -48.61 -53.26 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.95 -37.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.638 HD11 ' OE1' ' A' ' 97' ' ' GLN . 3.3 tt -78.99 -56.34 4.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.729 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 4.3 tp -42.13 -53.38 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.53 ' HB2' HD11 ' A' ' 19' ' ' LEU . 1.5 ttt180 -59.26 -58.17 9.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -47.11 -53.89 11.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.66 -36.94 74.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.988 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.3 t-105 -63.71 -61.96 1.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 108.001 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -57.51 -59.85 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.57 -32.23 0.05 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 88.78 29.44 18.37 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.404 ' O ' ' OE2' ' A' ' 94' ' ' GLU . 1.8 mmmt -87.68 -27.47 22.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 mt -73.03 159.43 33.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.551 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -91.9 153.56 19.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.2 mt -56.94 -45.08 99.99 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.0 -3.79 14.44 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.534 1.807 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.633 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 1.5 t -91.34 -30.43 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.59 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 4.4 mttp -81.56 -39.76 24.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -39.78 94.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' O ' HG21 ' A' ' 83' ' ' ILE . 1.1 mtt180 -70.0 -30.5 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.423 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -67.08 -61.54 1.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.75 -41.25 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.1 mt -52.45 -65.5 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.563 HD23 ' C ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -48.05 -45.54 32.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.585 HG11 ' HG2' ' A' ' 21' ' ' PRO . 43.8 t -58.4 -62.39 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.481 ' HA ' HD12 ' A' ' 73' ' ' LEU . 49.4 mm-40 -39.23 -41.99 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.452 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 9.7 mm-40 -65.57 -54.82 22.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 tt -50.21 -30.37 11.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.931 HD21 ' HB3' ' A' ' 21' ' ' PRO . 92.3 mt -68.99 -45.22 71.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.456 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 8.3 m170 -79.98 -2.02 42.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.625 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.497 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.4 m170 85.08 -0.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.578 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -67.87 66.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.497 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -59.74 -44.57 93.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 107.988 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.68 -44.77 38.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.452 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -67.15 -52.06 46.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.404 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -41.33 -54.26 3.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.58 -58.78 5.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.74 -65.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.452 HD13 ' N ' ' A' ' 68' ' ' LEU . 11.6 mt -52.4 -51.49 32.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.465 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -42.36 -58.65 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.857 ' O ' HG23 ' A' ' 89' ' ' VAL . 21.1 mmt85 -48.9 -55.95 10.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.9 m -41.85 -42.68 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.027 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.457 ' HB3' HG11 ' A' ' 95' ' ' VAL . 5.5 mt -71.7 -46.24 59.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.437 ' HG3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -67.91 -8.42 36.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.857 HG23 ' O ' ' A' ' 85' ' ' ARG . 76.5 t -81.15 -59.17 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -95.57 -69.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.633 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 19.4 m-70 -77.64 62.03 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.58 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 93' ' ' THR . 4.9 p -85.7 -51.05 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.475 ' N ' HG13 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -64.64 -26.67 68.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 56' ' ' LYS . 5.1 mm-40 -74.84 -50.54 16.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.6 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 23.6 m -70.39 -29.97 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.8 p -53.54 171.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.638 ' OE1' HD11 ' A' ' 47' ' ' LEU . 0.1 OUTLIER 76.36 -0.23 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.729 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 67.8 p-90 -164.0 -44.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.05 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.495 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -35.19 -35.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.473 HG23 ' N ' ' A' ' 101' ' ' GLY . 31.1 m -51.57 -51.64 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -54.62 -60.57 8.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.492 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 95.0 t -48.39 -56.31 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.767 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -40.38 -54.93 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -46.36 85.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.617 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -43.64 -54.4 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.55 HD11 HD11 ' A' ' 68' ' ' LEU . 26.2 mt -45.73 -61.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -46.22 -56.54 5.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -49.7 -65.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.55 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 7.0 mmmt -42.33 -53.13 4.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -57.83 -48.49 79.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.59 -55.65 15.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.973 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.3 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.503 HG21 ' HB2' ' A' ' 66' ' ' ALA . 1.1 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.473 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.7 mt -100.73 146.52 27.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.503 HG23 ' N ' ' A' ' 16' ' ' GLU . 15.9 tt -58.91 -55.21 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.503 ' N ' HG23 ' A' ' 15' ' ' ILE . 39.8 mt-10 -54.07 -31.07 50.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -30.18 66.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.842 HG21 ' CH2' ' A' ' 52' ' ' TRP . 59.3 t -91.8 -19.04 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.5 OUTLIER -89.98 -39.5 12.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -37.83 -52.79 2.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.657 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -74.96 -58.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.657 HD13 ' CD2' ' A' ' 48' ' ' LEU . 10.7 mt -45.17 -26.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' LEU . 11.2 mt-10 -88.9 -45.36 9.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.433 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 4.5 pt20 -60.14 -37.63 80.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.777 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -61.13 -48.19 82.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.919 HD12 ' SG ' ' A' ' 29' ' ' CYS . 28.2 tp -54.29 -63.46 1.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.9 mt-10 -37.67 -33.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -72.08 -54.64 9.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.919 ' SG ' HD12 ' A' ' 26' ' ' LEU . 13.9 p -58.56 -39.24 79.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 108.323 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -54.37 -35.96 63.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.615 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.55 32.54 6.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -159.15 -74.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.566 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.1 m -62.21 156.72 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -51.04 151.72 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -50.71 63.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.13 -43.5 7.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.97 -56.17 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.2 t -52.26 -53.6 41.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.286 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -21.98 4.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -85.33 -56.66 3.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.7 mt -53.37 -51.63 39.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.858 ' HB3' HD21 ' A' ' 26' ' ' LEU . 86.4 p -51.58 -48.8 63.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.71 -30.56 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.45 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 2.6 mmt180 -78.48 -46.77 18.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.683 HD12 HD22 ' A' ' 26' ' ' LEU . 22.5 mt -50.46 -49.94 53.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.69 -37.44 41.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.783 HD13 ' O ' ' A' ' 97' ' ' GLN . 2.4 tt -75.86 -49.59 17.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.897 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 1.3 tp -47.35 -59.28 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.556 ' HB2' HD11 ' A' ' 19' ' ' LEU . 1.7 ttt180 -55.14 -64.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -40.28 -50.71 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.4 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 1.1 mt-30 -64.02 -38.18 90.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.353 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.842 ' CH2' HG21 ' A' ' 18' ' ' VAL . 1.9 t90 -64.25 -61.2 2.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 108.006 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.99 -56.56 20.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.56 -32.37 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.28 16.56 43.19 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.39 -18.32 49.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.602 HD12 ' CB ' ' A' ' 52' ' ' TRP . 78.5 mt -85.11 144.03 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.509 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -75.18 160.7 30.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.76 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 3.5 mt -67.61 -44.55 44.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.01 -5.58 16.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.637 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.4 t -89.82 -19.59 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -93.74 -46.22 7.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.76 ' NZ ' HG22 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -55.87 -32.89 64.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.61 ' HB3' HD11 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -76.44 -40.43 50.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.486 ' CE ' HD11 ' A' ' 22' ' ' LEU . 25.1 mmm -56.05 -58.8 6.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.503 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -39.36 -45.48 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 64' ' ' ARG . 48.9 mt -53.56 -69.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.794 HD23 ' C ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -42.06 -41.51 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.794 ' N ' HD23 ' A' ' 68' ' ' LEU . 67.6 t -63.65 -53.11 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -50.31 -26.25 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 76' ' ' GLN . 6.3 mm-40 -80.32 -40.02 27.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.56 HD21 ' HG3' ' A' ' 109' ' ' LYS . 0.9 OUTLIER -65.96 -19.63 65.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.657 HD21 ' HB3' ' A' ' 21' ' ' PRO . 96.1 mt -79.45 -42.96 24.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.537 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 14.3 m-70 -80.64 -1.86 44.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.537 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 2.7 m170 89.9 -7.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' GLU . 22.1 mm-40 -64.62 84.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.488 ' CE2' ' O ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER -79.37 -34.85 41.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 108.051 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -47.91 84.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.45 ' HB1' ' CD ' ' A' ' 71' ' ' GLU . . . -61.43 -54.18 46.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.674 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -48.07 -47.75 33.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -62.18 -28.06 69.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 79' ' ' ALA . 5.0 t0 -70.77 -47.43 59.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.8 mt -70.94 -42.2 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.451 ' CE1' ' HD2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -49.64 -61.67 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.606 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.727 ' O ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -46.69 -57.49 4.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.4 p -48.77 -27.08 2.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' ' 64' ' ' ARG . 6.3 mt -83.86 -34.18 24.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.83 ' HG3' HG23 ' A' ' 92' ' ' VAL . 12.2 ttm -84.9 -9.96 57.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 85' ' ' ARG . 59.8 t -77.85 -52.41 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -95.29 -69.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.671 ' O ' HG22 ' A' ' 95' ' ' VAL . 41.4 m-70 -76.57 60.67 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.83 HG23 ' HG3' ' A' ' 88' ' ' MET . 2.7 p -83.21 -47.56 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.451 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -65.16 -11.18 37.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.392 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -95.63 -61.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 91' ' ' HIS . 27.0 m -60.22 -35.93 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 63.6 p -52.48 160.45 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.783 ' O ' HD13 ' A' ' 47' ' ' LEU . 4.1 tt0 85.64 4.8 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.897 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 67.6 p-90 -169.68 -43.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 107.972 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.433 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -36.47 -36.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.45 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 30.5 m -49.38 -49.77 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -56.5 -61.5 7.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.571 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 92.4 t -45.58 -51.09 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 0.757 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.451 ' HD2' ' CE1' ' A' ' 84' ' ' HIS . 11.6 tttm -48.23 -42.1 29.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.3 tpp85 -73.94 -52.04 14.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.777 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -41.38 -53.11 3.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.535 HG12 HD12 ' A' ' 72' ' ' LEU . 41.8 mt -48.14 -58.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.65 -48.81 63.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -56.95 -58.61 7.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.56 ' HG3' HD21 ' A' ' 72' ' ' LEU . 15.7 mmmt -45.22 -59.97 2.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.467 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 15.7 tttp -48.89 -48.77 42.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.76 -47.21 67.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.504 HG21 ' HB2' ' A' ' 66' ' ' ALA . 24.1 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.2 mt -107.33 130.17 54.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.547 HD12 ' CD1' ' A' ' 52' ' ' TRP . 17.8 tt -47.19 -54.34 2.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.487 ' N ' HG23 ' A' ' 15' ' ' ILE . 45.3 mt-10 -51.16 -36.63 42.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.81 -26.62 62.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.038 HG21 ' CH2' ' A' ' 52' ' ' TRP . 50.4 t -88.35 -23.7 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.7 OUTLIER -89.68 -38.15 14.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -38.26 -52.6 3.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.596 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -75.01 -59.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.789 HD13 ' CD2' ' A' ' 48' ' ' LEU . 15.8 mt -44.52 -27.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 21' ' ' PRO . 16.3 mt-10 -88.87 -40.1 13.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.422 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 5.2 pt20 -65.89 -28.91 69.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.776 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -71.72 -42.79 66.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.809 HD21 ' HB3' ' A' ' 42' ' ' SER . 14.4 tp -52.69 -52.87 54.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -40.16 -44.21 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.409 ' OD2' HD13 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -59.24 -50.91 72.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.429 ' SG ' ' HB ' ' A' ' 33' ' ' THR . 1.0 OUTLIER -62.3 -49.6 75.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 108.348 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.13 -32.48 6.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.645 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.46 48.02 0.98 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.485 ' CB ' HD21 ' A' ' 112' ' ' LEU . 8.9 t60 -170.94 -71.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.735 . . . . 0.0 109.616 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.429 ' HB ' ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -71.97 151.99 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.362 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -40.64 159.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -49.0 20.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -45.15 -40.01 6.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.841 HG12 HD12 ' A' ' 41' ' ' ILE . 76.9 t -67.39 -56.05 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 23.6 t -47.7 -59.91 2.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 108.329 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -47.23 -33.06 5.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.85 -67.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.841 HD12 HG12 ' A' ' 37' ' ' VAL . 8.8 mt -44.7 -54.61 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.809 ' HB3' HD21 ' A' ' 26' ' ' LEU . 80.2 p -49.23 -49.67 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.97 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -27.39 6.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.408 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 4.5 mmt180 -79.39 -47.2 16.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.521 HD12 HD22 ' A' ' 26' ' ' LEU . 14.2 mt -52.33 -52.14 54.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.72 -41.58 15.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tt -72.74 -50.9 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.789 ' CD2' HD13 ' A' ' 22' ' ' LEU . 4.1 tp -43.99 -56.5 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.481 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -57.7 -52.53 65.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.92 -52.31 43.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -38.48 91.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 1.038 ' CH2' HG21 ' A' ' 18' ' ' VAL . 1.9 t90 -65.68 -67.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.33 -57.91 5.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.94 -25.28 0.92 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.8 13.42 69.68 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -69.53 -11.97 61.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 0.73 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.815 HD12 ' HA ' ' A' ' 52' ' ' TRP . 53.4 mt -91.83 157.51 16.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.547 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.3 m -89.06 162.9 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.027 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.6 mt -61.89 -45.92 92.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.98 -3.21 13.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.675 HG22 ' CG ' ' A' ' 91' ' ' HIS . 5.1 t -91.14 -29.55 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.594 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 4.8 mttt -83.79 -38.84 20.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -38.7 92.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.605 ' O ' HG21 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -75.12 -21.74 58.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.517 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -74.97 -55.39 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.504 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -52.18 -36.85 52.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 67' ' ' LEU . 22.1 mt -56.02 -65.41 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.914 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -46.43 -41.04 13.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.914 ' N ' HD23 ' A' ' 68' ' ' LEU . 65.7 t -62.22 -58.15 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.761 ' HA ' HD12 ' A' ' 73' ' ' LEU . 16.1 mm100 -44.78 -36.93 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.481 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 9.1 mm-40 -68.89 -50.63 47.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.412 HD21 ' HG3' ' A' ' 109' ' ' LYS . 2.6 tt -54.32 -24.19 18.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.761 HD12 ' HA ' ' A' ' 70' ' ' GLN . 43.5 mt -73.81 -45.87 48.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.546 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 11.1 m-70 -77.85 -2.06 34.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.634 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.546 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 2.4 m170 89.39 -7.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.622 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -64.36 84.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.522 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -79.72 -29.17 40.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 107.964 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.66 -31.21 72.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.481 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -79.79 -49.99 11.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.456 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -47.26 -40.56 16.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -69.13 -54.7 13.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.97 -51.6 5.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.605 HG21 ' O ' ' A' ' 64' ' ' ARG . 12.8 mt -65.2 -50.62 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.479 ' CE1' ' HG3' ' A' ' 88' ' ' MET . 0.1 OUTLIER -47.43 -45.45 25.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.623 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 89' ' ' VAL . 2.1 mmt180 -59.42 -60.26 4.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.8 p -46.17 -30.89 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.741 ' HB3' HG11 ' A' ' 95' ' ' VAL . 14.2 mt -76.69 -46.05 27.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.479 ' HG3' ' CE1' ' A' ' 84' ' ' HIS . 67.1 mmm -69.87 -8.77 51.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 85' ' ' ARG . 69.8 t -82.8 -56.57 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -95.04 -70.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.675 ' CG ' HG22 ' A' ' 61' ' ' VAL . 6.6 m-70 -77.17 61.83 2.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.597 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.547 HG13 ' N ' ' A' ' 93' ' ' THR . 9.7 p -84.79 -53.19 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.547 ' N ' HG13 ' A' ' 92' ' ' VAL . 33.5 p -61.87 -12.04 15.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -94.77 -61.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.741 HG11 ' HB3' ' A' ' 87' ' ' LEU . 10.3 m -63.28 -26.53 41.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 58.1 p -61.44 162.25 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.8 tt0 84.83 -0.11 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.594 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.6 p-90 -163.43 -45.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 107.96 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.432 ' CB ' ' O ' ' A' ' 95' ' ' VAL . 29.3 tpp -36.57 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 101' ' ' GLY . 35.3 m -53.37 -50.87 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.487 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -55.6 -58.64 13.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.567 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 83.6 t -43.26 -52.0 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.677 ' HA ' HD12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -47.2 -49.29 23.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -65.38 -55.14 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.776 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -41.36 -49.22 3.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 103' ' ' LYS . 17.3 mt -50.19 -66.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.22 -49.05 12.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.494 ' OE2' HG11 ' A' ' 37' ' ' VAL . 85.4 mt-10 -54.29 -67.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.412 ' HG3' HD21 ' A' ' 72' ' ' LEU . 18.5 mmmt -40.83 -54.09 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.522 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 3.5 tttm -48.57 -48.48 38.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.36 -57.46 11.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.485 HD21 ' CB ' ' A' ' 32' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.525 HG21 ' HB2' ' A' ' 66' ' ' ALA . 3.3 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mt -97.24 141.1 30.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.2 tt -61.45 -34.24 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.41 -8.14 55.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.89 -25.73 15.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.87 HG21 ' CH2' ' A' ' 52' ' ' TRP . 97.9 t -95.26 -19.94 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.586 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -93.08 -36.49 12.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -45.41 -50.77 29.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.681 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.4 Cg_endo -74.99 -50.03 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.541 1.811 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.545 HD13 HD21 ' A' ' 48' ' ' LEU . 11.6 mt -49.61 -43.41 46.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.19 -49.03 47.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.419 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 20.7 mm-40 -47.27 -41.68 19.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.285 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.825 ' HB3' HD21 ' A' ' 105' ' ' LEU . . . -62.65 -49.41 75.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.86 HD12 ' SG ' ' A' ' 29' ' ' CYS . 13.0 tp -49.65 -33.44 15.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.53 -29.36 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.445 ' HB3' ' CD1' ' A' ' 112' ' ' LEU . 4.6 m-20 -75.14 -31.23 61.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.86 ' SG ' HD12 ' A' ' 26' ' ' LEU . 13.5 p -87.13 -38.91 16.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 108.29 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.416 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -53.13 -33.41 52.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.7 34.55 5.68 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -159.36 -67.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 0.0 109.615 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' CYS . 2.9 m -65.0 153.9 39.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -53.37 132.69 39.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.57 -36.09 4.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -59.07 -70.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 37' ' ' VAL . 17.7 t -48.29 -28.86 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 9.3 t -71.03 -48.28 53.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 108.315 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -61.58 -24.87 66.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -76.48 -49.23 17.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.32 -55.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.365 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.59 ' HB3' HD21 ' A' ' 26' ' ' LEU . 20.8 p -45.34 -57.47 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -38.3 -35.91 0.2 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.453 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 4.1 mmt180 -71.62 -56.47 5.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.665 HD12 HD22 ' A' ' 26' ' ' LEU . 12.3 mt -47.62 -49.78 26.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.75 -34.76 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.484 HD21 ' HG3' ' A' ' 51' ' ' GLN . 3.4 tt -82.7 -59.2 2.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.738 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 5.8 tp -39.7 -39.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.586 ' HB2' HD11 ' A' ' 19' ' ' LEU . 15.8 ttt180 -72.06 -63.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 54' ' ' GLY . 49.9 mt-10 -43.58 -48.09 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.484 ' HG3' HD21 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -64.0 -37.41 87.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.87 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.1 t90 -65.86 -65.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -55.37 -59.78 4.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.82 -35.02 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.4 19.71 34.6 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -83.9 -18.28 37.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.48 -178.7 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 0.7 OUTLIER -114.41 149.61 35.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.611 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.2 mt -56.95 -46.0 99.91 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.04 -6.87 18.57 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.465 1.771 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.551 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 1.5 t -89.38 -18.3 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.649 ' NZ ' ' CD1' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -94.51 -44.4 7.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HE2' ' CG2' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.05 -34.82 68.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.585 ' HB3' HD11 ' A' ' 87' ' ' LEU . 1.1 mtt180 -78.79 -35.3 44.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.521 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.85 -53.94 42.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.525 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -49.01 -41.94 36.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.521 ' HB3' HD13 ' A' ' 83' ' ' ILE . 42.4 mt -52.07 -67.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.975 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -44.73 -44.53 9.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.975 ' N ' HD23 ' A' ' 68' ' ' LEU . 58.2 t -58.46 -56.19 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -47.91 -25.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.479 ' CD ' ' HB1' ' A' ' 79' ' ' ALA . 5.2 mm-40 -81.63 -39.21 24.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.24 -21.46 66.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.681 HD21 ' HB3' ' A' ' 21' ' ' PRO . 83.0 mt -77.72 -40.82 39.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.562 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 8.6 m170 -84.06 -2.06 56.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.644 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.562 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 2.2 m170 86.61 -2.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' GLU . 10.0 mm100 -67.73 70.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.494 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -64.62 -47.46 78.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 107.979 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.1 -52.47 20.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.479 ' HB1' ' CD ' ' A' ' 71' ' ' GLU . . . -57.53 -54.76 43.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.707 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -49.13 -43.65 41.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.68 -40.1 96.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.84 -54.0 50.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.521 HD13 ' HB3' ' A' ' 67' ' ' LEU . 26.1 mt -61.85 -42.69 95.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.446 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.84 -44.61 59.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.529 ' O ' HG23 ' A' ' 89' ' ' VAL . 15.4 mmt85 -63.67 -51.77 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.8 p -46.43 -37.24 7.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 64' ' ' ARG . 12.2 mt -73.78 -35.97 65.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.516 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -74.05 -9.03 58.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 85' ' ' ARG . 61.5 t -78.77 -52.7 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.64 -69.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.632 ' O ' HG22 ' A' ' 95' ' ' VAL . 4.0 m-70 -82.21 63.6 6.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.635 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 88' ' ' MET . 1.4 p -79.67 -39.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.89 -57.51 3.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -45.13 -55.82 5.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 91' ' ' HIS . 18.1 m -60.05 -35.36 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.364 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.522 ' O ' ' CD1' ' A' ' 98' ' ' TRP . 0.7 OUTLIER -49.97 177.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.465 ' OE1' HD11 ' A' ' 47' ' ' LEU . 12.5 mt-30 69.04 3.46 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.738 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 67.3 p-90 -168.0 -43.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 108.015 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.525 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -35.77 -35.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.518 HG23 ' N ' ' A' ' 101' ' ' GLY . 27.3 m -55.65 -53.47 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.518 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -49.77 -57.04 10.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.62 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 94.8 t -44.15 -53.07 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 0.755 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -48.5 -41.67 30.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -71.4 -55.82 7.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.825 HD21 ' HB3' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -42.02 -52.16 4.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 39.6 mt -50.67 -63.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.1 -51.98 9.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -53.62 -61.9 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -45.9 -57.4 4.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -51.62 -54.27 29.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.07 -54.15 7.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.037 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 74.6 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt -98.85 148.25 24.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.548 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 12.0 tt -65.88 -46.87 87.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -64.48 -11.24 31.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.66 -29.93 18.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.794 HG21 ' HH2' ' A' ' 52' ' ' TRP . 86.5 t -96.35 -18.12 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.96 -37.42 12.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.505 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER -41.79 -51.42 9.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.588 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -75.01 -53.56 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.463 HD11 ' CE ' ' A' ' 65' ' ' MET . 11.0 mt -44.72 -36.65 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -75.4 -46.38 33.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 2.2 mm-40 -47.49 -35.71 9.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.937 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -71.1 -50.48 33.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.844 HD21 ' HB3' ' A' ' 42' ' ' SER . 26.8 tp -47.79 -68.39 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -44.17 -48.35 9.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.438 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -57.23 -36.94 71.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' LEU . 6.2 m -75.31 -38.44 60.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.367 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.436 ' CE1' ' HZ2' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -59.23 -21.95 60.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.579 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.39 24.33 11.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.519 ' HB3' HD21 ' A' ' 112' ' ' LEU . 39.8 m-70 -152.52 -65.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.635 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.1 m -73.07 153.17 40.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.583 ' HB2' HG23 ' A' ' 37' ' ' VAL . 22.3 mtpp -40.48 159.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.436 ' HZ2' ' CE1' ' A' ' 30' ' ' HIS . 31.9 tptt -76.31 -46.54 27.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -57.89 -38.89 76.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.583 HG23 ' HB2' ' A' ' 34' ' ' LYS . 91.9 t -64.1 -49.0 83.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.05 -57.53 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 108.271 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.59 -38.0 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.37 -55.74 10.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.1 mt -55.93 -58.29 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.844 ' HB3' HD21 ' A' ' 26' ' ' LEU . 3.3 p -46.13 -50.32 15.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.71 -35.71 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -70.65 -54.27 12.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.782 HD12 HD22 ' A' ' 26' ' ' LEU . 14.0 mt -45.96 -52.55 11.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.14 -34.46 1.83 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.555 HD11 ' OE1' ' A' ' 97' ' ' GLN . 3.7 tt -80.14 -55.0 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.585 HD12 HD11 ' A' ' 57' ' ' LEU . 8.1 tp -41.57 -60.28 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 64.0 ttt-85 -52.32 -61.74 2.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' GLY . 46.2 mt-10 -44.54 -44.52 8.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.407 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -70.17 -38.02 75.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.794 ' HH2' HG21 ' A' ' 18' ' ' VAL . 1.9 t90 -65.67 -60.9 2.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 108.018 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -61.78 -55.02 34.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.42 -32.53 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 96.23 17.29 34.89 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -84.34 -27.38 27.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.761 . . . . 0.0 109.245 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.731 HD12 ' CB ' ' A' ' 52' ' ' TRP . 59.7 mt -74.19 144.18 44.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.513 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -80.06 162.26 24.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.974 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.793 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 3.9 mt -67.68 -44.72 44.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -74.98 -5.4 16.75 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.552 ' CG2' ' ND1' ' A' ' 91' ' ' HIS . 3.0 t -89.78 -19.73 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.581 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 1.0 OUTLIER -93.4 -46.66 7.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.793 ' NZ ' HG22 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -54.84 -31.49 59.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.506 ' HB3' HD11 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -76.81 -46.58 24.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.463 ' CE ' HD11 ' A' ' 22' ' ' LEU . 23.0 mmm -53.29 -58.33 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.4 -32.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.231 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.41 ' HB2' HG21 ' A' ' 83' ' ' ILE . 8.8 mt -65.0 -61.36 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.858 HD12 ' O ' ' A' ' 80' ' ' ALA . 1.3 tt -48.19 -44.6 32.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.588 HG11 ' HG2' ' A' ' 21' ' ' PRO . 46.4 t -59.1 -62.83 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.51 ' HA ' HD12 ' A' ' 73' ' ' LEU . 39.6 mm-40 -38.74 -40.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.443 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 10.6 mm-40 -66.85 -53.26 34.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 tt -50.96 -29.44 12.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 21' ' ' PRO . 94.2 mt -68.87 -47.64 65.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.24 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.499 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -76.65 -2.15 31.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.573 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.516 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 3.1 m170 87.3 -4.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.589 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -65.01 77.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.547 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 0.9 OUTLIER -72.65 -33.84 66.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 107.973 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -35.25 74.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -77.23 -49.8 14.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.858 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -41.57 -54.18 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -59.36 -54.0 51.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -40.61 -64.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.446 HD13 ' N ' ' A' ' 68' ' ' LEU . 10.4 mt -52.95 -55.19 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.469 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -41.12 -56.49 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.582 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 89' ' ' VAL . 20.3 mmt180 -48.62 -59.02 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.6 m -47.71 -35.88 10.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.009 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.506 HD11 ' HB3' ' A' ' 64' ' ' ARG . 8.6 mt -72.69 -32.77 66.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.915 ' HG3' HG23 ' A' ' 92' ' ' VAL . 9.8 ttm -80.9 -8.57 59.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 85' ' ' ARG . 45.6 t -75.63 -57.6 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -90.31 -52.52 4.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.572 ' O ' HG13 ' A' ' 95' ' ' VAL . 3.6 m-70 -99.07 74.04 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.64 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.915 HG23 ' HG3' ' A' ' 88' ' ' MET . 9.6 p -82.18 -53.96 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.557 ' N ' HG13 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -63.72 -54.54 33.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -42.39 -50.24 5.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.588 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 5.7 m -73.76 -32.57 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 12.8 p -56.86 160.7 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.954 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.555 ' OE1' HD11 ' A' ' 47' ' ' LEU . 4.8 tt0 85.63 0.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.588 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.8 p-90 -164.88 -44.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 98' ' ' TRP . 30.9 tpp -36.96 -32.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 101' ' ' GLY . 32.9 m -55.08 -51.63 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.5 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -53.38 -58.0 13.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.588 HG12 HD11 ' A' ' 106' ' ' ILE . 94.1 t -44.45 -55.78 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -44.12 -48.2 9.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -65.03 -55.71 17.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.937 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -43.24 -56.84 3.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.588 HD11 HG12 ' A' ' 102' ' ' VAL . 19.2 mt -44.69 -60.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.26 -49.91 65.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -53.46 -58.74 6.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.5 ' HD2' HD12 ' A' ' 112' ' ' LEU . 11.4 mmmt -47.36 -50.99 20.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.547 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 27.2 tttm -52.2 -41.31 62.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -52.16 66.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.519 HD21 ' HB3' ' A' ' 32' ' ' HIS . 69.8 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.515 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 1.3 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 mt -100.97 147.93 25.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.567 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 14.1 tt -63.34 -39.84 86.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -70.75 -6.43 37.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.36 -27.74 13.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.89 HG21 ' CH2' ' A' ' 52' ' ' TRP . 22.3 t -95.3 -22.46 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -89.93 -40.66 12.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.481 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -38.33 -52.82 3.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.573 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.3 Cg_endo -74.95 -55.05 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.748 HD11 ' CE ' ' A' ' 65' ' ' MET . 10.4 mt -45.72 -32.17 2.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 19' ' ' LEU . 9.6 mt-10 -84.14 -48.73 9.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -52.75 -26.19 13.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.827 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -74.1 -38.85 63.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.687 HD11 ' SG ' ' A' ' 38' ' ' CYS . 7.4 tp -59.49 -54.87 41.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -45.94 -47.7 16.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -35.56 71.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' LEU . 11.3 m -75.46 -38.04 59.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 108.328 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -17.6 12.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.86 16.39 23.32 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.586 ' CD2' HD22 ' A' ' 112' ' ' LEU . 34.2 m-70 -149.8 -70.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.559 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 1.001 HG22 HG11 ' A' ' 37' ' ' VAL . 11.1 m -56.12 151.15 12.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HB2' HG12 ' A' ' 37' ' ' VAL . 3.3 mtmt -55.39 -176.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -83.7 -63.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -41.3 -52.83 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 1.001 HG11 HG22 ' A' ' 33' ' ' THR . 2.5 p -46.85 -62.73 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.692 ' H ' HG13 ' A' ' 37' ' ' VAL . 47.0 t -50.12 -61.44 2.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.96 -29.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 38' ' ' CYS . 1.3 t70 -80.26 -60.39 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.534 HD12 HG22 ' A' ' 37' ' ' VAL . 17.9 mt -50.72 -52.57 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.66 ' HB3' HD21 ' A' ' 26' ' ' LEU . 24.8 p -50.12 -56.39 11.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -40.72 -35.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.4 ' HB3' ' HA ' ' A' ' 98' ' ' TRP . 1.2 mmt85 -71.64 -48.62 46.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.469 ' CD1' HD22 ' A' ' 26' ' ' LEU . 8.5 mt -49.66 -55.19 14.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.39 -44.3 2.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.561 HD11 ' OE1' ' A' ' 97' ' ' GLN . 3.5 tt -71.3 -51.99 21.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.648 ' CD2' HD13 ' A' ' 22' ' ' LEU . 28.7 tp -41.84 -54.69 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -61.37 -49.13 78.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 54' ' ' GLY . 25.2 mt-10 -53.0 -47.22 68.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.443 ' HG3' HD21 ' A' ' 47' ' ' LEU . 1.2 mt-30 -69.66 -36.71 76.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.89 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.3 t-105 -66.85 -63.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.018 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -60.91 -54.47 44.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.05 -37.49 0.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.63 25.93 10.34 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -94.15 -23.52 17.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 52' ' ' TRP . 27.8 mt -71.89 158.3 36.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.645 ' OG ' HG23 ' A' ' 61' ' ' VAL . 9.6 p -96.91 155.97 16.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.6 mt -60.14 -45.04 97.82 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.0 -3.22 13.6 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.645 HG23 ' OG ' ' A' ' 58' ' ' SER . 2.0 t -92.03 -21.56 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.594 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 13.9 mttt -92.88 -42.16 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -35.68 78.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -72.88 -45.28 59.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.748 ' CE ' HD11 ' A' ' 22' ' ' LEU . 18.0 mmm -54.02 -58.52 7.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.54 -38.2 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.471 ' HB2' HG21 ' A' ' 83' ' ' ILE . 7.7 mt -56.29 -64.41 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.708 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -49.77 -42.45 46.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.708 ' N ' HD23 ' A' ' 68' ' ' LEU . 59.5 t -61.49 -56.5 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.668 ' HA ' HD12 ' A' ' 73' ' ' LEU . 41.1 mm-40 -45.85 -37.65 6.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.503 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 7.9 mm-40 -69.71 -51.44 34.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tt -52.37 -25.73 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 70' ' ' GLN . 60.7 mt -71.44 -46.47 59.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.516 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 12.0 m170 -78.51 -1.8 35.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.649 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.516 ' CB ' ' O ' ' A' ' 74' ' ' HIS . 2.3 m170 88.59 -7.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -63.14 82.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.55 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 0.9 OUTLIER -76.75 -36.05 57.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -57.93 -34.27 69.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.503 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -76.91 -49.84 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -45.36 -49.11 13.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.12 -44.49 95.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -50.45 -55.81 14.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.471 HG21 ' HB2' ' A' ' 67' ' ' LEU . 6.3 mt -64.3 -47.9 87.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -48.43 -38.81 20.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.622 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.482 ' O ' HG23 ' A' ' 89' ' ' VAL . 21.3 mmt85 -67.56 -56.1 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.8 p -46.48 -34.21 4.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.08 -39.96 65.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 85' ' ' ARG . 94.1 mmm -69.1 -8.68 47.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 85' ' ' ARG . 72.5 t -78.73 -61.46 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -95.74 -69.88 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.464 ' ND1' HG23 ' A' ' 61' ' ' VAL . 34.9 m-70 -74.73 61.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.627 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 93' ' ' THR . 4.4 p -88.55 -50.02 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.464 ' N ' HG13 ' A' ' 92' ' ' VAL . 1.0 OUTLIER -70.15 -9.85 56.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.42 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -89.13 -59.1 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.608 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 11.0 m -65.34 -32.43 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.6 p -50.78 170.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.561 ' OE1' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER 77.11 -0.2 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.608 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 69.0 p-90 -164.8 -44.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.0 tpp -37.79 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 101' ' ' GLY . 25.8 m -56.75 -48.39 81.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.54 -61.94 6.9 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.489 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 74.3 t -45.13 -47.55 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 0.728 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.435 ' HA ' HD12 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -47.02 -56.31 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -60.87 -50.22 74.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.827 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -42.01 -51.75 4.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.527 HD11 HD11 ' A' ' 68' ' ' LEU . 45.6 mt -47.15 -61.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.28 -51.38 11.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -55.19 -64.7 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.706 ' HA ' HD12 ' A' ' 112' ' ' LEU . 18.0 mmmt -40.8 -53.56 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.55 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 9.6 tttp -58.05 -53.17 61.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.8 t -51.86 -47.84 64.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 109' ' ' LYS . 55.3 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.576 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 2.1 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.8 mt -112.27 144.65 41.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.493 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 14.5 tt -57.99 -35.73 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -73.11 -18.78 61.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.42 -22.93 21.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.913 HG21 ' CH2' ' A' ' 52' ' ' TRP . 48.6 t -95.49 -22.95 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -92.04 -31.52 15.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.497 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 2.6 mmt180 -48.09 -51.63 47.21 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.566 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.03 -51.11 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.791 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.534 HD13 ' CD2' ' A' ' 48' ' ' LEU . 10.4 mt -45.94 -41.25 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.96 -46.85 50.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -49.24 -29.59 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.77 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -76.77 -47.04 22.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.686 HD22 HD12 ' A' ' 45' ' ' LEU . 28.2 tp -49.5 -68.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -40.93 -41.66 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.456 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -61.76 -52.01 65.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' THR . 23.5 m -62.9 -49.72 73.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 108.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -41.36 -42.36 2.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.639 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.9 43.09 1.77 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.584 ' HB3' HD21 ' A' ' 112' ' ' LEU . 8.3 m80 -165.37 -64.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.607 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' CYS . 4.3 m -73.79 149.68 41.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -45.77 133.03 8.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -47.25 -54.55 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -41.21 -58.18 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.424 ' HB ' HG22 ' A' ' 33' ' ' THR . 70.9 t -51.71 -60.32 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.4 t -44.45 -60.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.281 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.01 -37.41 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' VAL . 4.5 t70 -70.48 -57.45 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.548 HG21 HD12 ' A' ' 105' ' ' LEU . 96.5 mt -49.79 -61.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.45 ' HB3' HD21 ' A' ' 26' ' ' LEU . 12.6 p -39.63 -59.06 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.28 -46.88 6.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.439 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 16.5 mmt180 -59.34 -40.97 88.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.686 HD12 HD22 ' A' ' 26' ' ' LEU . 11.1 mt -60.17 -56.01 26.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' LEU . . . -40.03 -46.63 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.14 -50.79 60.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.567 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 8.7 tp -45.74 -57.57 4.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.465 ' HB2' HD11 ' A' ' 19' ' ' LEU . 16.4 ttt180 -57.41 -59.41 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -44.52 -49.85 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -65.34 -37.68 87.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.913 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.0 t90 -65.68 -62.83 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 107.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -58.18 -58.31 9.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.87 -35.95 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.97 37.1 5.55 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.4 ' O ' ' OE2' ' A' ' 94' ' ' GLU . 2.0 mmtt -99.05 -23.69 15.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 52' ' ' TRP . 40.8 mt -78.26 148.28 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.538 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.2 m -78.16 163.15 26.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.9 mt -64.25 -45.26 78.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.03 -2.58 12.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.737 ' CG2' ' CD2' ' A' ' 91' ' ' HIS . 3.9 t -89.7 -27.33 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.615 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 24.2 mttt -86.38 -42.2 13.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -36.33 79.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -72.18 -44.26 63.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 66' ' ' ALA . 23.7 mmm -51.64 -61.56 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -38.17 -42.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.239 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.45 ' HB2' HG21 ' A' ' 83' ' ' ILE . 9.1 mt -50.35 -65.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.365 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.895 HD12 ' O ' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -48.45 -46.38 37.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.566 HG11 ' HG2' ' A' ' 21' ' ' PRO . 47.0 t -56.74 -59.27 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.493 ' HA ' HD12 ' A' ' 73' ' ' LEU . 16.8 mm100 -43.4 -43.36 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.497 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 9.0 mm-40 -63.71 -55.36 23.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 tt -46.4 -37.17 7.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 70' ' ' GLN . 59.0 mt -62.54 -48.0 81.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.445 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 33.7 m170 -75.83 -1.97 27.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.621 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.472 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.6 m-70 83.5 -1.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.625 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -67.26 70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.566 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 1.0 OUTLIER -63.66 -42.18 98.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 107.964 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.02 -41.47 59.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.497 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -70.69 -51.16 29.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.895 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -44.42 -52.98 7.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -58.99 5.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -39.82 -60.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.45 HG21 ' HB2' ' A' ' 67' ' ' LEU . 13.7 mt -57.34 -54.53 29.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -43.55 -49.69 7.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.576 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 1.012 ' O ' HG23 ' A' ' 89' ' ' VAL . 20.1 mmt85 -56.61 -48.39 77.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.9 m -53.66 -39.95 65.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.69 ' HB3' HG11 ' A' ' 95' ' ' VAL . 9.2 mt -71.68 -32.25 67.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.473 ' O ' ' CG ' ' A' ' 88' ' ' MET . 11.6 ttm -86.32 -8.71 57.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 1.012 HG23 ' O ' ' A' ' 85' ' ' ARG . 70.4 t -81.11 -50.56 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -95.34 -69.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.85 ' O ' HG22 ' A' ' 95' ' ' VAL . 1.5 m80 -75.12 61.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.62 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.413 HG23 ' HG3' ' A' ' 88' ' ' MET . 9.8 p -86.72 -14.71 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.0 p -97.37 -10.34 25.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.359 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 56' ' ' LYS . 5.8 mm-40 -104.05 -62.72 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.85 HG22 ' O ' ' A' ' 91' ' ' HIS . 10.1 m -55.26 -33.99 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.1 p -55.17 170.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.84 -0.42 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.678 ' HZ3' HG21 ' A' ' 102' ' ' VAL . 62.3 p-90 -160.94 -46.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.031 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.35 -45.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 29.4 m -45.22 -45.3 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.075 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.81 -57.2 21.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.678 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 88.2 t -50.4 -47.58 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.449 ' HD2' ' CE1' ' A' ' 84' ' ' HIS . 20.0 tttm -46.97 -47.41 21.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -69.01 -49.01 61.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 110.276 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.77 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -40.94 -55.82 2.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.666 HD11 HD11 ' A' ' 68' ' ' LEU . 22.1 mt -43.9 -65.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -42.13 -58.45 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -50.52 -64.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.728 ' HA ' HD12 ' A' ' 112' ' ' LEU . 23.1 mmmt -42.94 -50.42 5.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.566 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 46.1 tttt -55.57 -63.51 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.37 -53.11 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.963 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' A' ' 109' ' ' LYS . 6.8 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.485 HG21 ' HB2' ' A' ' 66' ' ' ALA . 17.3 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.79 150.42 20.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.537 HD12 ' CD1' ' A' ' 52' ' ' TRP . 19.4 tt -61.62 -50.68 79.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.446 ' N ' HG23 ' A' ' 15' ' ' ILE . 83.7 mt-10 -61.68 -15.46 40.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 -30.37 23.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.74 HG21 ' HH2' ' A' ' 52' ' ' TRP . 59.4 t -96.01 -19.89 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 15' ' ' ILE . 0.6 OUTLIER -89.66 -38.09 14.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.479 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 1.1 mmt180 -38.3 -52.67 3.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.564 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.3 Cg_endo -74.99 -58.31 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.71 HD11 ' CE ' ' A' ' 65' ' ' MET . 13.6 mt -45.22 -26.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 21' ' ' PRO . 9.1 mt-10 -90.12 -39.37 12.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.426 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 5.9 pt20 -66.21 -29.84 70.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.593 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -67.08 -51.67 51.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.675 HD11 ' SG ' ' A' ' 38' ' ' CYS . 12.3 tp -46.87 -47.35 21.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -46.24 -32.64 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.6 -39.29 73.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -77.03 -35.15 57.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -22.73 62.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.642 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.6 43.58 1.35 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.428 ' CB ' HD21 ' A' ' 112' ' ' LEU . 16.1 t60 -166.6 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.598 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.529 HG21 ' OE1' ' A' ' 108' ' ' GLU . 0.9 OUTLIER -68.4 151.75 46.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.413 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -45.6 155.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -69.66 -46.26 66.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -46.75 -47.68 20.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.03 -39.05 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.675 ' SG ' HD11 ' A' ' 26' ' ' LEU . 49.6 t -64.29 -53.47 48.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -49.9 -24.78 2.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.56 -59.31 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.6 mt -53.74 -59.08 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.635 ' HB3' HD21 ' A' ' 26' ' ' LEU . 23.3 p -42.07 -58.87 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.69 -46.15 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.452 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 62.6 mmt-85 -62.76 -41.06 99.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.418 1.074 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' ALA . 10.4 mt -53.84 -57.62 10.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' LEU . . . -40.02 -45.41 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.829 HD13 ' O ' ' A' ' 97' ' ' GLN . 0.9 OUTLIER -66.07 -58.88 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.669 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 8.7 tp -40.43 -52.12 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -63.72 -61.79 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -44.73 -50.11 10.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.42 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -66.35 -38.28 87.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.74 ' HH2' HG21 ' A' ' 18' ' ' VAL . 1.8 t90 -64.45 -63.24 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 108.005 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.51 -56.71 18.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.51 -34.24 0.24 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.31 18.96 29.4 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -84.01 -14.15 51.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.401 HD12 ' CB ' ' A' ' 52' ' ' TRP . 46.1 mt -91.65 136.6 33.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.512 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -68.1 161.01 27.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.009 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.668 HG22 ' CE ' ' A' ' 63' ' ' LYS . 2.8 mp -67.31 -44.54 47.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -75.07 -5.62 16.99 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.48 HG22 ' CG ' ' A' ' 91' ' ' HIS . 2.5 t -89.52 -20.11 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -94.36 -45.87 7.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.668 ' CE ' HG22 ' A' ' 59' ' ' ILE . 1.7 mtmp? -54.68 -35.09 63.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.912 ' CB ' HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -71.64 -40.61 69.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.71 ' CE ' HD11 ' A' ' 22' ' ' LEU . 22.0 mmm -57.25 -57.44 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.485 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -39.09 -43.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.0 mt -54.51 -66.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.858 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -45.28 -43.41 10.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.858 ' N ' HD23 ' A' ' 68' ' ' LEU . 76.1 t -58.9 -53.71 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -51.37 -29.24 14.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.47 ' CD ' ' HB1' ' A' ' 79' ' ' ALA . 6.0 mm-40 -75.75 -41.0 54.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.792 HD21 ' HG3' ' A' ' 109' ' ' LYS . 0.9 OUTLIER -63.14 -26.09 68.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.0 mt -79.14 -37.65 38.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.551 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER -83.39 -2.0 54.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.585 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.551 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 0.7 OUTLIER 82.91 -3.21 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.623 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 71' ' ' GLU . 29.5 mm-40 -69.15 61.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.518 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -56.19 -46.71 79.31 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -49.05 -50.68 35.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.47 ' HB1' ' CD ' ' A' ' 71' ' ' GLU . . . -60.01 -54.16 49.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.356 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.619 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -45.37 -46.06 12.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.16 -38.84 92.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -58.54 -50.22 74.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.5 mt -68.6 -43.63 83.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.408 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.38 -57.9 6.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.551 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.785 ' O ' HG23 ' A' ' 89' ' ' VAL . 22.6 mmt180 -51.21 -53.15 37.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.333 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.6 m -47.94 -44.12 29.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 110.038 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.912 HD21 ' CB ' ' A' ' 64' ' ' ARG . 30.5 mt -67.47 -29.99 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.772 ' HG3' HG23 ' A' ' 92' ' ' VAL . 12.4 ttm -87.84 -9.24 54.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 85' ' ' ARG . 78.7 t -83.46 -49.7 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.5 -69.64 0.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.576 ' O ' HG13 ' A' ' 95' ' ' VAL . 15.5 m-70 -81.66 62.62 5.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.584 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.772 HG23 ' HG3' ' A' ' 88' ' ' MET . 3.5 p -81.9 -50.81 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.487 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 31.5 p -62.57 -11.82 18.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -95.77 -61.93 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.746 HG11 ' HB3' ' A' ' 87' ' ' LEU . 10.5 m -61.71 -27.46 42.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 58.1 p -61.08 163.22 6.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.829 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.5 tt0 83.24 1.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.669 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 69.7 p-90 -164.12 -46.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 108.04 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.485 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.4 OUTLIER -37.92 -42.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.452 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 27.2 m -45.53 -46.7 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -59.47 -59.96 9.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.475 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 76.7 t -47.82 -46.96 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.95 -52.96 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -61.73 -47.85 83.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.593 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -40.64 -60.21 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.486 HD11 HD11 ' A' ' 68' ' ' LEU . 17.4 mt -44.45 -52.26 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.79 -42.55 75.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.529 ' OE1' HG21 ' A' ' 33' ' ' THR . 2.2 mm-40 -61.6 -66.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.792 ' HG3' HD21 ' A' ' 72' ' ' LEU . 17.9 mmmt -40.62 -54.42 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -48.16 -55.56 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.66 -59.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.428 HD21 ' CB ' ' A' ' 32' ' ' HIS . 1.8 mp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.592 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 1.4 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mt -105.34 151.9 23.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.56 ' CD1' ' HB2' ' A' ' 53' ' ' ALA . 19.5 tt -62.02 -41.06 89.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 20' ' ' ARG . 39.8 mt-10 -75.01 -8.0 55.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.51 -31.27 16.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.935 HG21 ' CH2' ' A' ' 52' ' ' TRP . 38.7 t -92.84 -16.1 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.434 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -92.02 -37.38 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.514 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -43.13 -50.84 14.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.717 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.02 -53.2 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.548 HD13 ' CD2' ' A' ' 48' ' ' LEU . 8.4 mt -43.61 -39.93 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -73.77 -48.09 34.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -46.55 -46.54 19.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.67 ' HB1' ' HD3' ' A' ' 109' ' ' LYS . . . -57.71 -55.03 40.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.695 HD21 ' HB3' ' A' ' 42' ' ' SER . 32.4 tp -43.46 -54.94 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -41.11 -43.62 2.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -54.81 26.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.46 ' SG ' HD12 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -55.3 -46.66 76.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.254 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.46 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -49.9 -24.1 2.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.28 34.18 4.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -160.02 -66.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 109.593 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.82 150.63 48.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.44 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.3 146.75 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -29.44 70.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -68.91 -57.16 5.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.0 t -58.46 -31.97 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.5 t -67.19 -52.1 45.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 108.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -54.52 -32.96 59.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.73 -64.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 52.9 mt -41.61 -62.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.695 ' HB3' HD21 ' A' ' 26' ' ' LEU . 78.7 p -44.06 -54.52 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -47.86 -39.04 17.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.468 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 15.4 mmt180 -69.17 -36.54 77.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.543 HD12 HD22 ' A' ' 26' ' ' LEU . 15.5 mt -59.78 -55.93 28.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.47 -45.54 2.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.73 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.2 tt -67.75 -56.36 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.796 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 2.3 tp -40.58 -52.27 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.434 ' HB2' HD11 ' A' ' 19' ' ' LEU . 29.7 ttt85 -62.07 -44.13 97.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' GLY . 31.4 mt-10 -61.09 -46.56 90.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -68.13 -38.56 82.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.935 ' CH2' HG21 ' A' ' 18' ' ' VAL . 1.7 t-105 -63.15 -61.66 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.56 ' HB2' ' CD1' ' A' ' 15' ' ' ILE . . . -60.75 -56.8 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.45 -33.59 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 97.69 7.76 56.42 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' O ' ' OE1' ' A' ' 94' ' ' GLU . 1.5 mmmt -71.56 -10.64 60.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 52' ' ' TRP . 76.0 mt -96.77 142.44 28.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.547 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.1 m -75.08 162.68 28.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.633 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 6.1 mt -64.22 -45.03 78.61 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -75.03 -2.57 12.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.661 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.5 t -89.83 -29.4 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.611 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 34.3 mttm -84.92 -42.06 15.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -35.43 77.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.756 ' CB ' HD21 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -75.11 -42.38 56.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.317 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -57.49 10.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.432 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -42.05 -35.96 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.3 -61.88 2.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.631 HD23 ' C ' ' A' ' 68' ' ' LEU . 1.1 tt -49.18 -42.9 41.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.633 HG21 HG13 ' A' ' 18' ' ' VAL . 46.9 t -61.01 -60.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.425 ' HA ' HD12 ' A' ' 73' ' ' LEU . 64.5 mm-40 -42.45 -43.69 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 44.1 mm-40 -63.81 -55.59 21.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tt -49.55 -33.37 14.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' A' ' 21' ' ' PRO . 88.8 mt -66.19 -43.98 85.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.471 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 10.0 m-70 -80.56 -2.29 45.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.548 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.512 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 3.4 m170 85.16 0.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.624 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.404 ' CB ' ' OE1' ' A' ' 71' ' ' GLU . 35.5 mm-40 -69.3 70.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.516 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -65.7 -37.89 87.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 108.037 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.58 -34.44 64.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.411 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -79.35 -49.24 12.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.464 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -43.33 -53.99 4.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -57.17 -55.51 33.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -39.89 -57.75 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.9 mt -61.63 -56.94 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.47 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -40.71 -49.19 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.571 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.983 ' O ' HG23 ' A' ' 89' ' ' VAL . 33.5 mmt180 -58.18 -49.44 77.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.7 p -51.38 -41.77 60.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.756 HD21 ' CB ' ' A' ' 64' ' ' ARG . 74.0 mt -71.52 -45.03 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -8.48 38.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 85' ' ' ARG . 55.2 t -84.52 -50.67 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.58 -69.69 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.661 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 7.5 m-70 -82.33 64.45 7.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.627 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.449 ' O ' ' CB ' ' A' ' 96' ' ' SER . 3.6 p -84.58 -40.18 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.1 p -72.54 -16.71 61.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 56' ' ' LYS . 7.8 mm-40 -88.05 -61.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.601 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 18.5 m -58.64 -30.81 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 21.3 p -59.43 161.05 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.73 ' O ' HD13 ' A' ' 47' ' ' LEU . 6.7 tt0 85.32 0.68 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.796 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 66.6 p-90 -163.59 -44.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' TRP . 0.4 OUTLIER -37.62 -47.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.468 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 35.1 m -41.21 -42.93 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -62.58 -55.18 28.7 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.536 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 53.0 t -56.16 -47.95 79.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.51 ' HA ' HD12 ' A' ' 106' ' ' ILE . 3.5 tmtt? -46.81 -54.02 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -59.99 -48.4 81.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.539 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -42.35 -51.1 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 103' ' ' LYS . 34.1 mt -46.77 -61.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -46.61 -59.14 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -50.31 -67.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.67 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -42.12 -53.02 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.516 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 23.4 tttt -56.45 -54.18 48.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.36 -51.71 18.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.528 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 2.4 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mt -115.76 149.73 38.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.413 HD12 ' CD1' ' A' ' 52' ' ' TRP . 21.5 tt -57.85 -43.51 84.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -70.73 -6.43 37.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.87 -32.53 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.926 HG21 ' CH2' ' A' ' 52' ' ' TRP . 42.8 t -90.8 -22.43 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -89.68 -38.29 13.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -38.95 -52.34 3.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.581 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.93 -58.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 48' ' ' LEU . 11.7 mt -45.45 -27.55 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 19' ' ' LEU . 11.0 mt-10 -86.73 -46.61 9.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.433 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 6.2 pt20 -61.07 -29.45 69.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.795 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -68.11 -44.35 76.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.65 HD21 ' HB3' ' A' ' 42' ' ' SER . 17.7 tp -51.88 -60.9 2.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -44.73 -46.56 10.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.46 -37.27 75.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' THR . 62.4 m -75.53 -43.7 47.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.7 -25.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.093 . . . . 0.0 109.581 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.21 -34.28 10.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.565 1.166 . . . . 0.0 111.037 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 29' ' ' CYS . 79.9 t60 -101.44 -72.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 1.026 HG22 HG11 ' A' ' 37' ' ' VAL . 8.2 m -42.4 152.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HB2' HG12 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -55.79 -166.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -94.82 -59.75 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.36 -45.07 35.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 1.026 HG11 HG22 ' A' ' 33' ' ' THR . 2.6 p -48.61 -60.85 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.654 ' H ' HG13 ' A' ' 37' ' ' VAL . 49.0 t -47.72 -59.63 3.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 38' ' ' CYS . 20.3 t70 -39.62 -34.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -76.22 -60.02 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.439 HG21 HD12 ' A' ' 105' ' ' LEU . 89.9 mt -49.92 -58.2 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.65 ' HB3' HD21 ' A' ' 26' ' ' LEU . 89.9 p -47.08 -54.46 10.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -38.56 22.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.435 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 30.9 mmt180 -69.84 -44.01 70.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.441 HD12 HD22 ' A' ' 26' ' ' LEU . 10.5 mt -53.54 -55.74 22.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.17 -43.39 1.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.3 tt -67.11 -55.02 16.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.663 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 6.2 tp -42.57 -53.8 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -58.2 -51.64 68.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.344 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 54' ' ' GLY . 31.2 mm-40 -54.71 -55.57 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.62 -37.17 80.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.926 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.1 t-105 -66.0 -64.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 107.996 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -54.09 -59.15 5.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -38.6 -30.79 0.1 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 87.1 31.68 16.5 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.34 -26.36 22.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 52' ' ' TRP . 20.2 mt -75.72 160.23 30.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.531 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.8 OUTLIER -86.8 158.72 19.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.1 mt -63.2 -44.96 85.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -74.98 -2.63 12.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.62 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.3 t -90.69 -25.75 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.587 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 30.7 mttm -89.37 -41.36 12.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.34 80.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.614 ' HB3' HD11 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -73.82 -42.87 60.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.569 ' HE1' HD11 ' A' ' 22' ' ' LEU . 16.7 mmm -53.69 -58.81 5.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -38.76 -45.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.6 mt -51.46 -68.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.872 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -44.98 -43.12 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.872 ' N ' HD23 ' A' ' 68' ' ' LEU . 74.5 t -60.55 -50.65 79.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.458 ' HA ' HD12 ' A' ' 73' ' ' LEU . 86.3 mm-40 -53.71 -30.12 42.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.466 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 4.9 mm-40 -74.48 -43.18 57.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.496 HD12 HG12 ' A' ' 106' ' ' ILE . 2.8 tt -61.51 -25.29 67.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 70' ' ' GLN . 65.8 mt -75.59 -41.09 55.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.488 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 29.0 m170 -83.24 -2.44 55.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.518 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.7 m170 84.46 1.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.615 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' GLU . 29.4 mm-40 -71.38 59.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.518 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -54.21 -53.05 58.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -43.09 -52.81 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.466 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -57.29 -54.81 42.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.69 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -45.06 -51.12 10.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.54 -36.86 69.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 79' ' ' ALA . 1.3 t70 -60.69 -58.57 7.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.0 mt -59.37 -46.28 92.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.472 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.1 -49.89 50.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.634 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.904 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.3 mmt85 -54.47 -52.38 62.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.6 p -48.42 -40.99 27.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.614 HD11 ' HB3' ' A' ' 64' ' ' ARG . 17.5 mt -71.76 -43.34 65.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -9.15 50.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 85' ' ' ARG . 71.8 t -80.55 -55.28 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -95.09 -69.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.668 ' O ' HG22 ' A' ' 95' ' ' VAL . 13.9 m-70 -75.85 60.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.571 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 93' ' ' THR . 6.0 p -84.91 -49.57 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.463 ' N ' HG13 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -67.53 -21.36 65.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.388 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -81.48 -61.49 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 91' ' ' HIS . 25.6 m -57.39 -38.63 63.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.1 p -48.75 174.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.82 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER 73.46 2.92 4.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.262 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.663 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 69.3 p-90 -167.72 -44.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 108.011 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.468 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -37.09 -47.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.958 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.435 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 28.8 m -42.34 -46.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -58.85 -48.51 85.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.098 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.531 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 68.3 t -61.53 -55.59 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 0.731 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -42.79 -50.15 5.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -62.76 -50.48 70.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.255 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.795 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -43.07 -59.76 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.325 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.571 HD11 HD11 ' A' ' 68' ' ' LEU . 40.1 mt -41.85 -59.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.3 -48.17 36.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -58.97 -64.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.403 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 6.9 mmmt -40.76 -48.2 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' SER . 14.7 tttm -57.95 -50.92 71.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' LYS . 0.1 OUTLIER -39.44 -54.16 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.538 ' CG2' ' HB2' ' A' ' 66' ' ' ALA . 3.0 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.0 mt -106.33 151.71 24.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.507 HD12 ' CD1' ' A' ' 52' ' ' TRP . 19.3 tt -61.91 -49.29 84.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.402 ' N ' HG23 ' A' ' 15' ' ' ILE . 1.9 mm-40 -65.92 -16.76 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.73 -33.6 30.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.915 HG21 ' CH2' ' A' ' 52' ' ' TRP . 63.4 t -89.3 -21.15 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -90.11 -37.0 14.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.591 1.182 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.486 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 2.6 mmt180 -38.87 -52.34 3.74 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 110.348 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.641 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.06 -58.0 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.751 HD13 ' CD2' ' A' ' 48' ' ' LEU . 21.1 mt -45.43 -28.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' LEU . 15.3 mt-10 -85.66 -46.07 11.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.435 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 5.8 pt20 -62.35 -28.83 70.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.591 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -71.24 -50.28 34.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.778 HD22 HD12 ' A' ' 45' ' ' LEU . 41.5 tp -46.14 -61.41 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.19 -45.96 5.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.56 -41.21 72.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 26' ' ' LEU . 82.0 m -70.43 -42.22 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 108.317 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -42.47 -54.57 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.96 47.58 2.95 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.457 ' CG ' ' CD2' ' A' ' 112' ' ' LEU . 6.4 m80 -167.29 -76.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.6 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.4 m -66.59 151.69 46.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.419 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.96 170.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -82.42 -48.07 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -50.9 -35.05 30.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.2 t -76.49 -54.64 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -41.54 64.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 108.344 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -31.68 72.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -71.41 -60.73 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 44' ' ' ARG . 29.4 mt -49.75 -61.21 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.775 ' HB3' HD21 ' A' ' 26' ' ' LEU . 39.4 p -42.24 -54.87 3.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.4 -34.84 1.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.447 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 3.9 mmt180 -71.55 -51.53 22.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.778 HD12 HD22 ' A' ' 26' ' ' LEU . 14.9 mt -43.02 -50.68 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.39 -45.05 35.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.751 HD13 ' O ' ' A' ' 97' ' ' GLN . 2.0 tt -68.69 -41.2 79.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.751 ' CD2' HD13 ' A' ' 22' ' ' LEU . 13.5 tp -55.14 -62.08 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 53' ' ' ALA . 68.1 ttt180 -51.17 -60.82 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -42.52 -54.57 3.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.47 ' HB3' HD21 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -60.76 -38.77 86.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.915 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.2 t90 -65.83 -66.83 0.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 49' ' ' ARG . . . -50.7 -59.11 4.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.04 -40.43 1.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.2 12.74 32.97 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -26.17 61.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 51' ' ' GLN . 46.0 mt -73.97 147.97 42.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.501 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -81.64 149.13 28.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.603 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.1 mt -55.36 -45.57 99.84 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.06 -5.63 17.01 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.519 1.8 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.582 HG23 ' ND1' ' A' ' 91' ' ' HIS . 2.2 t -92.13 -20.92 6.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.576 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 2.0 mttp -88.76 -47.85 7.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -29.33 67.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.565 ' HB3' HD11 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -77.12 -45.69 26.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.597 ' HE2' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -52.97 -58.31 7.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.538 ' HB2' ' CG2' ' A' ' 13' ' ' THR . . . -39.61 -35.45 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mt -62.01 -62.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.769 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.55 -34.05 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.769 ' N ' HD23 ' A' ' 68' ' ' LEU . 68.3 t -72.4 -60.06 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.69 ' HA ' HD12 ' A' ' 73' ' ' LEU . 17.0 mm100 -41.28 -37.94 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 9.2 mm-40 -66.76 -51.22 58.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.521 HD12 HG12 ' A' ' 106' ' ' ILE . 2.0 tt -54.56 -27.28 37.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 70' ' ' GLN . 62.4 mt -70.59 -45.76 64.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.54 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -79.11 -1.73 37.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.616 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.54 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 1.7 m170 88.49 -3.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.642 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -66.1 73.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.528 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -68.43 -38.24 81.01 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -41.52 70.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -70.52 -51.27 29.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -40.04 -54.95 2.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -60.6 -45.82 92.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -45.12 -66.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.9 mt -54.23 -52.42 38.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.239 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.534 ' CG ' ' N ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -40.32 -70.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.59 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.714 ' O ' HG23 ' A' ' 89' ' ' VAL . 24.2 mmt180 -39.77 -63.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.1 m -47.27 -36.74 9.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.565 HD11 ' HB3' ' A' ' 64' ' ' ARG . 6.0 mt -71.29 -35.42 71.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.464 ' O ' ' CG ' ' A' ' 88' ' ' MET . 12.2 ttm -85.47 -9.35 57.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 85' ' ' ARG . 54.4 t -79.58 -58.31 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -86.21 -65.48 1.01 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.582 ' ND1' HG23 ' A' ' 61' ' ' VAL . 3.8 m-70 -79.99 61.54 3.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.642 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.414 HG23 ' HG3' ' A' ' 88' ' ' MET . 9.8 p -82.09 -24.03 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.56 -9.85 57.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.449 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -103.76 -56.08 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 95' ' ' VAL . 1.8 m -83.42 52.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' ' 97' ' ' GLN . 4.8 p -132.07 159.13 39.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.751 ' O ' HD13 ' A' ' 47' ' ' LEU . 69.0 mt-30 74.54 12.49 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.589 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.4 p-90 -163.4 -48.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 95' ' ' VAL . 28.8 tpp -37.54 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.061 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 98' ' ' TRP . 27.3 m -56.31 -49.39 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.4 -63.99 4.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.469 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 73.2 t -40.01 -53.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.8 tttm -42.0 -49.47 4.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 101' ' ' GLY . 15.4 tpp180 -66.78 -50.7 61.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.591 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -42.33 -56.13 3.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.521 HG12 HD12 ' A' ' 72' ' ' LEU . 23.5 mt -44.9 -58.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.03 -52.18 45.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -55.14 -61.82 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.616 ' HA ' HD12 ' A' ' 112' ' ' LEU . 12.4 mmmt -45.81 -48.24 15.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.518 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 60.9 tttt -55.44 -59.14 5.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.07 -52.73 8.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 109' ' ' LYS . 55.5 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.532 HG21 ' HB2' ' A' ' 66' ' ' ALA . 43.4 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mt -103.89 155.13 18.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.575 HD12 ' CD1' ' A' ' 52' ' ' TRP . 16.0 tt -64.73 -38.17 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -78.42 -6.22 54.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.256 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.92 -33.74 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.84 HG21 ' CH2' ' A' ' 52' ' ' TRP . 40.9 t -88.82 -19.2 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -89.5 -41.23 12.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.471 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -37.69 -53.09 2.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.569 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.02 -54.74 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.76 HD13 ' CD2' ' A' ' 48' ' ' LEU . 9.2 mt -45.04 -32.12 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -82.16 -42.79 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 3.3 mm-40 -53.8 -43.3 69.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.833 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -61.55 -43.13 99.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.87 HD22 HD12 ' A' ' 45' ' ' LEU . 29.0 tp -50.83 -64.73 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -41.07 -40.88 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -54.81 37.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.9 m -60.88 -46.17 91.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 108.329 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.18 -41.7 8.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.579 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.21 44.9 1.38 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.499 ' HB3' HD21 ' A' ' 112' ' ' LEU . 25.4 m-70 -164.76 -67.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.75 . . . . 0.0 109.599 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.401 HG22 ' HB ' ' A' ' 37' ' ' VAL . 1.2 m -72.49 153.86 41.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.43 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HB2' HG23 ' A' ' 37' ' ' VAL . 22.4 mtpt -44.19 123.53 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -43.75 -48.95 8.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -49.59 -51.51 36.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.452 HG23 ' HB2' ' A' ' 34' ' ' LYS . 89.1 t -57.67 -53.18 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.9 t -48.15 -56.45 7.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 108.342 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -46.92 -44.37 19.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -64.61 -43.09 94.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.69 -56.91 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.834 ' HB3' HD21 ' A' ' 26' ' ' LEU . 1.8 p -49.76 -39.16 36.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -36.3 63.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.462 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 4.7 mmt180 -71.27 -49.11 46.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.87 HD12 HD22 ' A' ' 26' ' ' LEU . 10.7 mt -49.81 -55.2 15.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.08 -46.01 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 97' ' ' GLN . 3.9 tt -66.98 -55.68 13.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.76 ' CD2' HD13 ' A' ' 22' ' ' LEU . 2.6 tp -40.29 -55.06 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -57.3 -48.27 79.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 54' ' ' GLY . 2.3 mt-10 -54.41 -57.63 10.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.81 -38.49 82.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.84 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.1 t90 -64.49 -64.06 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -55.13 -59.78 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.36 -38.3 0.25 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.0 33.53 6.0 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -95.0 -33.96 12.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.9 mt -64.05 152.07 41.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.555 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -80.79 158.39 25.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.978 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.645 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 6.0 mm -65.5 -43.41 62.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -75.04 -2.61 12.76 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.524 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.7 t -90.28 -25.39 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.582 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 30.1 mttt -88.71 -42.51 11.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -34.94 75.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -44.81 27.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.452 ' CE ' HD11 ' A' ' 22' ' ' LEU . 18.9 mmm -51.2 -59.18 4.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.532 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -39.67 -40.72 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.0 mt -54.32 -64.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.832 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -49.6 -43.36 46.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.832 ' N ' HD23 ' A' ' 68' ' ' LEU . 49.9 t -59.26 -59.77 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -43.86 -42.31 5.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.461 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 9.1 mm-40 -64.27 -53.96 40.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.416 HD12 HG12 ' A' ' 106' ' ' ILE . 3.4 tt -48.23 -36.13 13.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.55 -48.24 73.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -75.74 -1.77 26.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.583 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.2 m170 79.05 10.19 1.64 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 109.595 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -76.55 55.22 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.564 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 0.9 OUTLIER -48.13 -53.29 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 107.998 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 77' ' ' TRP . 3.1 t0 -40.56 -42.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.461 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -71.96 -50.38 29.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.78 -52.85 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.53 -51.16 71.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -43.21 -61.66 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.472 HD13 ' N ' ' A' ' 68' ' ' LEU . 5.9 mt -58.45 -52.38 60.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.615 ' CE1' ' HG3' ' A' ' 88' ' ' MET . 3.3 t60 -42.43 -59.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.62 ' O ' HG23 ' A' ' 89' ' ' VAL . 21.6 mmt85 -48.42 -51.14 28.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.5 m -47.98 -43.08 29.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.98 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 91' ' ' HIS . 38.2 mt -70.34 -33.49 71.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.615 ' HG3' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -76.11 -9.06 58.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 85' ' ' ARG . 56.3 t -79.99 -55.27 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -95.62 -68.93 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.541 ' O ' HG13 ' A' ' 95' ' ' VAL . 8.7 m-70 -81.69 64.1 6.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.604 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.405 ' CG1' ' N ' ' A' ' 93' ' ' THR . 2.8 p -82.24 -45.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.405 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -70.09 -54.32 13.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -44.19 -53.62 6.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 91' ' ' HIS . 13.6 m -65.58 -34.21 68.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.418 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 2.2 p -49.85 167.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.434 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.0 tt0 79.99 0.02 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.536 ' HZ3' HG21 ' A' ' 102' ' ' VAL . 68.9 p-90 -166.15 -43.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.423 ' HE2' ' HB ' ' A' ' 95' ' ' VAL . 32.1 tpp -36.75 -32.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 101' ' ' GLY . 28.7 m -55.44 -51.53 56.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.491 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -52.02 -59.98 8.13 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.536 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 98.5 t -43.37 -54.89 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -42.89 -60.36 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -55.67 -51.77 66.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.833 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -43.19 -58.67 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.416 HG12 HD12 ' A' ' 72' ' ' LEU . 48.0 mt -41.34 -64.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.62 -53.9 5.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -52.18 -65.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.809 ' HA ' HD12 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -42.38 -48.85 5.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.564 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 1.6 ttpt -58.85 -62.45 1.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t -43.19 -49.44 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.039 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.809 HD12 ' HA ' ' A' ' 109' ' ' LYS . 13.1 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.428 HG21 ' HB2' ' A' ' 66' ' ' ALA . 2.0 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mt -99.38 147.63 25.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.346 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.471 HD12 ' CD1' ' A' ' 52' ' ' TRP . 15.3 tt -65.75 -40.07 86.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.21 -6.61 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.57 -25.52 15.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.945 HG21 ' CH2' ' A' ' 52' ' ' TRP . 88.9 t -96.11 -22.6 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.92 -22.42 19.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.513 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -59.41 -51.14 83.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.6 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.98 -43.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.661 HD12 ' O ' ' A' ' 18' ' ' VAL . 32.5 mt -51.28 -46.91 62.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -68.51 -41.07 80.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.468 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 8.3 mm-40 -54.18 -28.75 42.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.792 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -77.64 -44.85 26.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.857 HD21 ' HB3' ' A' ' 42' ' ' SER . 21.2 tp -57.61 -67.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -36.49 -37.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.96 -52.29 13.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.687 ' SG ' HD12 ' A' ' 26' ' ' LEU . 3.1 p -51.4 -33.13 28.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.332 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -39.99 -60.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.587 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.43 ' O ' ' CD2' ' A' ' 32' ' ' HIS . . . -89.76 49.1 3.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.622 ' CG ' HD21 ' A' ' 112' ' ' LEU . 22.7 m-70 -164.81 -71.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.613 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' CYS . 11.4 m -70.93 146.63 49.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.446 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.63 156.08 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -64.74 -60.02 3.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.413 ' N ' ' HD2' ' A' ' 35' ' ' LYS . 43.0 mt-30 -38.94 -45.69 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.537 HG12 HD12 ' A' ' 41' ' ' ILE . 98.6 t -67.35 -52.94 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.6 t -51.5 -54.8 23.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.317 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -52.75 -37.57 59.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -68.37 -59.49 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.674 HG21 HD12 ' A' ' 105' ' ' LEU . 32.6 mt -50.13 -59.34 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.235 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.857 ' HB3' HD21 ' A' ' 26' ' ' LEU . 48.4 p -45.16 -54.33 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -48.23 -41.14 26.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.262 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.402 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 64.2 mmt-85 -66.41 -30.05 70.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.552 HD12 HD22 ' A' ' 26' ' ' LEU . 22.5 mt -67.05 -57.0 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.13 -28.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.931 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.3 tt -79.41 -62.81 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.529 HD13 ' CH2' ' A' ' 98' ' ' TRP . 12.6 tp -42.21 -33.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -75.75 -44.07 43.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.5 pt-20 -67.05 -42.34 84.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.532 ' HG3' HD23 ' A' ' 47' ' ' LEU . 63.4 mt-30 -69.31 -39.42 78.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.945 ' CH2' HG21 ' A' ' 18' ' ' VAL . 1.8 t90 -64.76 -57.67 8.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.013 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -63.53 -58.97 5.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.27 -31.57 0.07 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 93.07 24.62 22.0 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -92.13 -6.4 50.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.745 HD12 ' CA ' ' A' ' 52' ' ' TRP . 88.5 mt -96.4 137.85 34.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.518 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -72.63 158.68 35.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.986 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 3.6 mt -61.96 -45.34 91.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -74.95 -3.27 13.67 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.432 HG22 ' CG ' ' A' ' 91' ' ' HIS . 2.6 t -90.72 -25.84 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.585 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 6.5 mttt -87.46 -41.58 13.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -37.2 83.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.6 ' HB3' HD11 ' A' ' 87' ' ' LEU . 2.0 mtt180 -73.69 -26.14 60.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.518 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -73.23 -54.78 7.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.428 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -49.45 -38.12 28.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 67' ' ' LEU . 25.6 mt -53.9 -65.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.932 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.61 -41.61 22.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.932 ' N ' HD23 ' A' ' 68' ' ' LEU . 50.6 t -61.7 -63.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.574 ' HA ' HD12 ' A' ' 73' ' ' LEU . 16.9 mm100 -38.7 -39.14 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.496 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 8.2 mm-40 -68.74 -52.55 29.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.479 HD21 ' HE2' ' A' ' 109' ' ' LYS . 1.3 tt -50.39 -27.53 6.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' A' ' 70' ' ' GLN . 57.1 mt -71.05 -48.7 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.463 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 10.1 m-70 -76.09 -1.86 28.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.625 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.495 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 3.1 m-70 85.57 -2.81 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.582 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -65.41 73.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.1 m95 -67.46 -38.96 85.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.038 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.23 -38.08 65.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.496 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -74.28 -50.32 19.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.99 -52.09 5.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -51.35 69.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -45.74 -54.1 8.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 64' ' ' ARG . 9.6 mt -65.61 -49.95 74.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.609 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -49.76 -37.98 32.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.554 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.589 ' O ' HG23 ' A' ' 89' ' ' VAL . 17.5 mmt85 -69.92 -53.35 18.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.4 m -48.5 -30.05 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.6 HD11 ' HB3' ' A' ' 64' ' ' ARG . 9.2 mt -77.56 -42.73 34.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -9.1 40.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 85' ' ' ARG . 71.6 t -76.91 -61.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -94.18 -69.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.606 ' O ' HG13 ' A' ' 95' ' ' VAL . 4.3 m-70 -76.57 60.34 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.635 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.8 p -79.16 -43.87 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.16 -52.85 14.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -45.46 -54.02 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 91' ' ' HIS . 13.3 m -64.65 -32.55 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 p -53.35 171.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.931 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.8 mt-30 75.58 1.59 3.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.604 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 69.6 p-90 -166.35 -44.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.027 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 33.8 tpp -37.97 -50.11 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.9 m -41.87 -43.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -62.27 -71.02 0.88 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 101' ' ' GLY . 81.9 t -40.13 -52.89 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -57.42 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -57.18 -49.57 75.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.792 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -41.35 -58.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.77 HD11 HD11 ' A' ' 68' ' ' LEU . 41.0 mt -41.26 -63.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.18 -55.82 3.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -51.1 -61.15 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.54 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 28.9 mmmt -44.59 -54.19 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -50.96 -49.87 59.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.42 -53.73 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.622 HD21 ' CG ' ' A' ' 32' ' ' HIS . 86.9 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.636 HG21 ' HB2' ' A' ' 66' ' ' ALA . 3.4 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.445 -0.205 . . . . 0.0 110.445 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -84.08 139.95 32.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.577 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 13.9 tt -61.33 -41.24 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.495 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 2.5 mm-40 -67.02 -20.93 65.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.14 -29.5 48.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.961 HG21 ' CH2' ' A' ' 52' ' ' TRP . 37.2 t -91.21 -19.46 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -92.57 -30.14 15.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -48.74 -51.71 51.43 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.671 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.3 Cg_endo -75.01 -50.94 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.536 ' CD1' HD21 ' A' ' 48' ' ' LEU . 10.8 mt -46.51 -40.57 12.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -73.97 -44.57 54.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -51.5 -43.95 62.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.501 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -61.93 -50.09 73.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 42' ' ' SER . 18.4 tp -51.16 -57.52 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -39.97 -38.51 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.87 -48.97 32.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' THR . 61.4 m -58.83 -52.75 64.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.267 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -31.17 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.547 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.81 35.41 4.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -160.8 -63.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 0.742 . . . . 0.0 109.574 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.498 ' CG2' ' OE2' ' A' ' 108' ' ' GLU . 3.4 m -68.43 166.07 17.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.422 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' N ' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -51.5 171.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -44.36 12.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -69.98 -30.97 68.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.1 t -75.57 -40.73 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 9.0 t -65.93 -52.47 49.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 108.321 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -34.37 57.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -65.48 -47.75 75.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.8 mt -58.41 -56.99 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.784 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -47.93 -47.94 32.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -46.8 -40.29 13.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.466 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 4.3 mmt180 -70.07 -50.49 40.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.687 HD12 HD22 ' A' ' 26' ' ' LEU . 13.2 mt -49.05 -53.83 18.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.25 -46.27 4.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.426 HD21 ' HG3' ' A' ' 51' ' ' GLN . 3.6 tt -69.63 -55.97 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.536 HD21 ' CD1' ' A' ' 22' ' ' LEU . 2.8 tp -40.48 -52.42 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.584 ' HB2' HD11 ' A' ' 19' ' ' LEU . 10.8 ttt180 -61.95 -64.72 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -40.78 -50.76 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.426 ' HG3' HD21 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -62.04 -40.81 97.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.961 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.0 t90 -63.17 -62.18 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 108.041 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -54.53 -59.83 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -37.6 -36.38 0.27 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.25 25.98 10.59 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -85.37 -32.29 22.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 0.727 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 52' ' ' TRP . 46.6 mt -70.91 142.9 51.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.518 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -77.33 159.14 29.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.788 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 3.5 mt -60.21 -45.99 97.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.97 -6.12 17.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.718 ' CG2' ' CD2' ' A' ' 91' ' ' HIS . 6.4 t -89.38 -21.25 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.589 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -91.48 -43.49 9.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.788 ' NZ ' HG22 ' A' ' 59' ' ' ILE . 3.6 mtmt -54.89 -35.97 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.444 ' HB3' HD11 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -75.3 -35.63 61.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.49 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.61 -54.85 33.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.636 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -51.35 -37.88 50.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.4 mt -58.42 -67.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.828 HD12 ' O ' ' A' ' 80' ' ' ALA . 5.2 tt -42.36 -42.67 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.671 HG11 ' HG2' ' A' ' 21' ' ' PRO . 59.1 t -62.09 -51.37 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -49.03 -30.53 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.546 ' CD ' ' HB1' ' A' ' 79' ' ' ALA . 4.3 mm-40 -78.05 -41.42 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.568 HD21 ' HG3' ' A' ' 109' ' ' LYS . 0.8 OUTLIER -62.89 -21.39 65.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' A' ' 21' ' ' PRO . 96.9 mt -79.22 -37.29 38.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -87.17 -2.55 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.607 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.3 m170 79.94 11.38 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.63 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 22.9 mm-40 -79.73 52.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.505 ' CG ' ' HB2' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -43.66 -55.02 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 107.977 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.24 -53.19 5.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.546 ' HB1' ' CD ' ' A' ' 71' ' ' GLU . . . -59.29 -51.64 69.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.828 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -47.82 -46.61 31.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -55.88 29.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -40.03 -52.13 2.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.455 HD13 ' N ' ' A' ' 68' ' ' LEU . 18.2 mt -59.01 -60.44 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.613 ' CE1' ' HG3' ' A' ' 88' ' ' MET . 0.0 OUTLIER -40.17 -48.33 2.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.575 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 88' ' ' MET . 15.4 mmt180 -54.13 -54.26 41.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.1 m -48.39 -35.9 13.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.466 ' HB3' HG11 ' A' ' 95' ' ' VAL . 7.7 mt -72.2 -33.21 67.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.613 ' HG3' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -74.95 -7.95 55.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 79.3 t -79.63 -58.04 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -95.67 -70.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.718 ' CD2' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -79.37 63.72 4.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.591 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 88' ' ' MET . 2.1 p -86.05 -16.15 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 96' ' ' SER . 1.0 OUTLIER -95.52 -61.98 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.469 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -43.65 -52.84 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' ' 91' ' ' HIS . 15.7 m -62.2 -35.16 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.479 ' O ' ' CD1' ' A' ' 98' ' ' TRP . 1.1 p -51.66 178.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 96' ' ' SER . 0.9 OUTLIER 69.16 3.84 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.712 ' HZ3' HG21 ' A' ' 102' ' ' VAL . 68.9 p-90 -167.96 -42.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.01 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.483 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -35.83 -34.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 101' ' ' GLY . 18.4 m -57.25 -53.62 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.551 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -48.72 -55.78 10.73 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.712 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 61.3 t -46.18 -53.64 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -46.58 -46.23 19.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -65.74 -52.27 52.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.501 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -46.82 -51.86 15.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.518 HD11 HD11 ' A' ' 68' ' ' LEU . 76.3 mt -51.1 -63.96 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.37 -45.68 55.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.498 ' OE2' ' CG2' ' A' ' 33' ' ' THR . 2.5 mt-10 -55.94 -61.95 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.568 ' HG3' HD21 ' A' ' 72' ' ' LEU . 9.8 mmmt -45.24 -58.29 3.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.505 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 2.1 ttpm? -50.97 -51.7 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.6 -55.27 9.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.8 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.512 HG21 ' HB2' ' A' ' 66' ' ' ALA . 2.0 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.1 mt -99.97 148.59 24.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.357 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.561 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 16.5 tt -60.48 -46.26 95.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.497 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 39.3 mt-10 -67.39 -19.68 65.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.06 -29.43 43.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.971 HG21 ' CH2' ' A' ' 52' ' ' TRP . 43.7 t -93.39 -18.61 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -92.75 -28.41 16.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.505 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -51.3 -51.28 70.15 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.762 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.4 Cg_endo -75.0 -50.04 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.546 1.814 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.727 HD13 ' CD2' ' A' ' 48' ' ' LEU . 10.5 mt -47.7 -42.03 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.21 -42.72 59.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -53.28 -42.95 67.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.628 ' HB1' ' HD3' ' A' ' 109' ' ' LYS . . . -62.1 -53.85 49.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.86 HD21 ' HB3' ' A' ' 42' ' ' SER . 29.9 tp -41.9 -53.91 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -43.08 -44.18 4.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -63.8 -53.35 52.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' THR . 88.9 m -55.97 -43.87 77.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 108.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.17 -62.36 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.635 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -91.3 49.2 2.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -163.37 -70.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 109.616 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' CYS . 2.5 m -71.02 155.78 40.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm -46.6 164.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -71.93 -57.9 3.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.51 -59.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.7 t -48.5 -57.98 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.0 t -50.14 -52.76 32.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.42 -40.81 60.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -68.49 -62.19 1.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.4 mt -41.86 -51.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.86 ' HB3' HD21 ' A' ' 26' ' ' LEU . 48.1 p -60.01 -46.53 89.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.7 -36.64 25.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.467 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 4.2 mmt180 -70.91 -46.38 62.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.523 HD12 HD22 ' A' ' 26' ' ' LEU . 15.3 mt -47.24 -54.75 10.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.03 -24.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.81 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.4 tt -85.73 -60.47 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.727 ' CD2' HD13 ' A' ' 22' ' ' LEU . 11.0 tp -43.54 -34.74 1.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 -73.75 -41.03 63.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.8 pt-20 -68.29 -41.17 81.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.417 ' N ' ' CG ' ' A' ' 50' ' ' GLU . 49.7 mt-30 -71.32 -38.68 71.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.971 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.2 t-105 -66.19 -57.91 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 108.029 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -64.84 -58.26 6.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.66 -32.27 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 91.97 21.01 34.52 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -9.69 53.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.4 mt -89.07 153.43 20.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.631 ' OG ' HG23 ' A' ' 61' ' ' VAL . 13.5 p -90.33 156.74 18.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.0 mt -58.95 -45.66 99.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.99 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.631 HG23 ' OG ' ' A' ' 58' ' ' SER . 1.9 t -90.92 -25.81 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.602 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 5.2 mttt -87.71 -40.21 14.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -38.5 91.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -74.75 -27.35 60.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.515 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -70.6 -55.08 9.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.957 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.512 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -51.09 -39.2 55.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.423 ' HB3' HD13 ' A' ' 83' ' ' ILE . 30.1 mt -52.85 -65.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.014 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.09 -41.36 17.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.014 ' N ' HD23 ' A' ' 68' ' ' LEU . 50.9 t -62.17 -63.97 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 69' ' ' VAL . 85.3 mm-40 -38.17 -40.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.348 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 8.2 mm-40 -67.2 -53.04 34.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tt -52.11 -31.3 30.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.762 HD21 ' HB3' ' A' ' 21' ' ' PRO . 77.5 mt -65.55 -47.8 74.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.512 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 6.8 m170 -76.64 -1.77 29.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.589 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.516 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 3.2 m170 89.0 -7.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -61.64 83.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.516 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -77.82 -31.03 51.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -35.74 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -77.38 -49.27 15.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.84 -52.64 6.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.28 -52.87 62.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -42.9 -49.3 5.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.423 HD13 ' HB3' ' A' ' 67' ' ' LEU . 16.6 mt -70.55 -54.91 16.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.616 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -43.72 -42.48 5.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.581 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.739 ' O ' HG23 ' A' ' 89' ' ' VAL . 7.2 mmt180 -65.74 -46.37 79.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.1 m -55.06 -28.31 51.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.443 ' HB3' HG11 ' A' ' 95' ' ' VAL . 9.5 mt -78.27 -42.72 30.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.459 ' SD ' HG21 ' A' ' 95' ' ' VAL . 98.6 mmm -68.07 -8.34 37.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 85' ' ' ARG . 68.8 t -79.13 -60.14 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -95.75 -69.61 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.517 ' ND1' HG23 ' A' ' 61' ' ' VAL . 6.5 m-70 -77.8 64.65 3.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.599 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.418 HG23 ' HA ' ' A' ' 88' ' ' MET . 2.0 p -91.72 -30.71 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -83.9 -19.22 35.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -81.95 -61.59 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.536 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 24.0 m -55.24 -40.27 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 66.5 p -45.79 163.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.81 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.9 tt0 84.62 -0.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.583 ' CH2' HD13 ' A' ' 48' ' ' LEU . 69.0 p-90 -165.51 -44.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 108.062 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' TRP . 29.8 tpp -36.35 -36.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.467 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 27.5 m -48.95 -50.16 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -59.2 -61.79 6.92 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.422 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 75.5 t -48.97 -52.12 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 0.743 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.23 -54.74 4.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -60.01 -47.93 83.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.516 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -40.88 -57.93 1.83 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 65.3 mt -41.12 -66.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.66 -54.16 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -53.08 -64.06 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.628 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 4.9 mmmt -42.66 -59.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.421 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 11.4 tttm -52.79 -47.76 67.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.81 -51.28 40.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.8 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -105.34 141.88 36.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.41 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 8.7 tt -59.96 -39.15 79.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.37 -9.21 39.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.93 -22.76 15.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.951 HG21 ' CH2' ' A' ' 52' ' ' TRP . 57.5 t -96.16 -22.21 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.55 -36.41 13.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 2.2 mmt180 -44.41 -51.22 20.74 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.87 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.0 -52.32 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.72 HD13 ' CD2' ' A' ' 48' ' ' LEU . 13.6 mt -48.13 -38.97 19.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.06 -40.69 64.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 6.4 mm-40 -53.69 -25.4 18.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.932 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -76.9 -51.96 10.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 42' ' ' SER . 27.0 tp -43.64 -66.74 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.84 -48.64 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -43.01 73.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LEU . 59.9 m -65.74 -44.52 85.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -20.91 7.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.637 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.18 22.3 25.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.436 ' CG ' HD22 ' A' ' 112' ' ' LEU . 44.2 m-70 -156.96 -70.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 109.643 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 1.121 HG22 HG11 ' A' ' 37' ' ' VAL . 6.6 m -58.09 156.01 10.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HB2' HG12 ' A' ' 37' ' ' VAL . 1.7 mmpt? -55.47 -166.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -92.37 -66.71 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -42.38 -42.46 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 1.121 HG11 HG22 ' A' ' 33' ' ' THR . 5.6 p -58.17 -57.37 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.549 ' H ' HG13 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -56.63 -53.36 58.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 108.269 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -45.29 -31.04 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.66 -64.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.956 HG21 HD12 ' A' ' 105' ' ' LEU . 39.2 mt -45.81 -59.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.585 ' HB3' HD21 ' A' ' 26' ' ' LEU . 35.0 p -46.38 -48.91 18.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -35.39 61.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.464 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 19.1 mmt180 -74.78 -33.53 62.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.486 HD12 HD22 ' A' ' 26' ' ' LEU . 9.1 mt -62.91 -58.1 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.03 -41.71 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.009 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.3 tt -69.09 -54.14 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.735 HD13 ' CH2' ' A' ' 98' ' ' TRP . 7.2 tp -40.6 -44.85 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -67.99 -49.14 63.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 54' ' ' GLY . 38.3 mt-10 -55.6 -50.21 70.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -66.07 -37.69 86.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.951 ' CH2' HG21 ' A' ' 18' ' ' VAL . 1.8 t-105 -65.61 -63.59 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -58.14 -56.33 23.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -35.99 -37.71 0.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.75 4.39 48.85 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.403 ' O ' ' CD ' ' A' ' 94' ' ' GLU . 2.0 mmmt -66.23 -23.28 66.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' A' ' 52' ' ' TRP . 81.0 mt -82.62 145.96 29.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.636 ' OG ' HG23 ' A' ' 61' ' ' VAL . 15.3 p -81.04 157.45 25.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.613 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.3 mt -59.4 -45.56 98.97 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.04 -3.46 13.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.657 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.0 t -90.99 -26.56 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.595 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 4.5 mttt -86.54 -41.47 14.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -35.97 80.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.431 ' O ' HG21 ' A' ' 83' ' ' ILE . 2.1 mtt180 -72.8 -43.62 62.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.608 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -53.98 -58.61 6.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.28 -37.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.508 ' HB2' HG21 ' A' ' 83' ' ' ILE . 9.6 mt -58.04 -62.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.836 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -48.67 -39.74 25.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.836 ' N ' HD23 ' A' ' 68' ' ' LEU . 42.4 t -62.49 -64.34 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.417 ' HA ' HD12 ' A' ' 73' ' ' LEU . 33.9 mm-40 -37.98 -39.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.433 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 8.7 mm-40 -69.95 -52.72 22.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tt -52.54 -23.79 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.87 HD21 ' HB3' ' A' ' 21' ' ' PRO . 89.4 mt -73.86 -47.84 35.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 13.2 m170 -77.08 -2.04 32.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.6 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 74' ' ' HIS . 1.9 m-70 88.62 -5.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.26 80.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.51 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.1 m95 -74.87 -32.73 61.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 108.01 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -60.71 -37.28 81.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.433 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -74.22 -49.84 21.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.409 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -47.73 -49.77 27.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.92 -38.97 80.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -57.83 -60.61 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.508 HG21 ' HB2' ' A' ' 67' ' ' LEU . 5.1 mt -59.92 -37.47 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.482 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -59.65 -42.34 92.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.602 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.988 ' O ' HG23 ' A' ' 89' ' ' VAL . 22.9 mmt180 -60.35 -53.14 61.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -53.29 -45.39 68.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 110.031 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 mt -64.34 -37.45 87.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.519 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -80.32 -8.85 59.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 85' ' ' ARG . 78.6 t -87.01 -43.36 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -95.4 -69.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.657 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 1.0 OUTLIER -90.25 66.16 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 88' ' ' MET . 1.5 p -78.83 -18.68 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.433 ' O ' ' CB ' ' A' ' 96' ' ' SER . 40.2 p -89.44 -60.29 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 56' ' ' LYS . 5.9 mm-40 -43.55 -55.25 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.603 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 14.6 m -60.21 -32.72 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.463 ' O ' ' CD1' ' A' ' 98' ' ' TRP . 1.4 p -54.01 172.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 1.009 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.3 mt-30 73.31 7.59 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.735 ' CH2' HD13 ' A' ' 48' ' ' LEU . 64.7 p-90 -171.74 -42.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.507 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -36.51 -48.96 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.971 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.464 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 29.0 m -40.0 -46.28 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -59.42 -64.88 3.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.715 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 88.5 t -40.65 -54.19 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.659 ' HA ' HD12 ' A' ' 106' ' ' ILE . 25.6 tttm -44.67 -51.3 9.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -64.15 -55.15 23.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.956 HD12 HG21 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -42.59 -49.84 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 103' ' ' LYS . 44.0 mt -46.33 -67.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.25 -47.91 46.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.701 ' OE2' HD11 ' A' ' 41' ' ' ILE . 23.7 mt-10 -51.48 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.501 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 22.4 mmmt -40.94 -54.04 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.491 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 74.9 tttt -51.52 -49.08 62.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.94 -49.27 15.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.436 HD22 ' CG ' ' A' ' 32' ' ' HIS . 35.1 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.725 HG21 ' HB2' ' A' ' 66' ' ' ALA . 2.0 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.456 -0.201 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mt -107.39 149.0 28.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.573 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 16.5 tt -56.57 -48.85 79.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 47.1 mt-10 -65.46 -10.13 31.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.23 -23.08 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.969 HG21 ' CH2' ' A' ' 52' ' ' TRP . 99.8 t -96.03 -22.63 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.02 -34.1 13.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.541 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 1.1 mmt85 -45.45 -49.14 34.88 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.728 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.2 Cg_endo -75.02 -59.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.502 HD11 ' CE ' ' A' ' 65' ' ' MET . 21.2 mt -45.17 -33.96 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -68.01 -55.2 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.489 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -46.6 -24.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.598 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -74.55 -58.12 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.718 HD11 ' HB3' ' A' ' 42' ' ' SER . 33.2 tp -42.3 -65.91 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' OE2' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -46.29 -42.85 15.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.453 ' N ' ' OE2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -64.03 -37.77 88.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.7 m -69.74 -48.86 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.306 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -48.72 -35.15 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.543 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.43 36.23 4.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -167.29 -76.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.603 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -60.9 153.58 24.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -48.51 172.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.62 -61.6 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -41.79 -39.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.03 -56.55 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -52.36 -51.01 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.352 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -49.08 -42.8 40.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.32 -63.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.709 HG21 HD12 ' A' ' 105' ' ' LEU . 14.8 mt -41.95 -65.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.718 ' HB3' HD11 ' A' ' 26' ' ' LEU . 78.8 p -43.74 -55.59 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -35.81 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 20.6 mmt-85 -74.39 -49.94 20.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.417 HD12 HD22 ' A' ' 26' ' ' LEU . 19.2 mt -48.46 -51.08 28.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.34 -30.71 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 97' ' ' GLN . 4.4 tt -79.24 -61.63 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.585 HD13 ' CZ2' ' A' ' 98' ' ' TRP . 14.6 tp -40.92 -35.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -74.28 -45.41 47.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.6 pt-20 -64.33 -39.75 94.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.483 ' HG3' HD23 ' A' ' 47' ' ' LEU . 16.5 mt-30 -71.63 -36.95 70.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.969 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.1 t90 -67.12 -56.05 11.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -66.52 -57.25 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.08 -33.65 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 93.86 28.87 10.44 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -96.46 -12.24 24.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 0.733 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 52' ' ' TRP . 94.6 mt -88.58 144.56 26.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.533 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -83.76 152.36 24.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.973 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.9 mt -56.77 -45.24 99.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.02 -5.07 16.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.484 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 1.0 OUTLIER -91.11 -17.97 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.612 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -93.93 -50.55 5.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -28.77 52.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.506 ' O ' HG21 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -81.86 -37.27 27.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.502 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -61.76 -60.54 3.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.725 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -38.8 -35.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.605 ' HB2' HG21 ' A' ' 83' ' ' ILE . 10.0 mt -53.22 -63.24 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.852 HD12 ' O ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -49.81 -42.07 46.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.546 HG11 ' HG2' ' A' ' 21' ' ' PRO . 41.4 t -60.82 -63.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.6 ' HA ' HD12 ' A' ' 73' ' ' LEU . 67.5 mm-40 -37.73 -37.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.467 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 7.9 mm-40 -71.44 -51.23 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 69' ' ' VAL . 2.0 tt -52.48 -21.39 3.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.728 HD21 ' HB3' ' A' ' 21' ' ' PRO . 76.5 mt -76.47 -47.8 21.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.491 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 7.8 m170 -78.0 -1.95 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.535 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.7 m170 86.44 -2.17 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.598 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -65.69 72.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.535 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -67.86 -37.21 81.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 108.012 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.27 -32.15 64.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.467 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -80.75 -49.21 11.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.852 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -42.57 -49.3 5.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -64.84 -42.43 94.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.29 -58.21 5.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.605 HG21 ' HB2' ' A' ' 67' ' ' LEU . 4.1 mt -63.31 -50.26 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -44.8 -50.54 10.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.604 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.605 ' O ' HG23 ' A' ' 89' ' ' VAL . 23.7 mmt180 -55.29 -63.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.8 m -46.53 -36.54 6.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' A' ' 64' ' ' ARG . 3.5 mt -71.96 -35.73 69.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.804 ' HG3' HG23 ' A' ' 92' ' ' VAL . 11.5 ttm -81.16 -9.25 59.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 85' ' ' ARG . 55.2 t -76.69 -53.52 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -95.38 -68.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.486 ' O ' HG22 ' A' ' 95' ' ' VAL . 33.0 m-70 -75.58 62.2 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.573 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.804 HG23 ' HG3' ' A' ' 88' ' ' MET . 2.7 p -88.37 -25.99 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -87.06 -9.65 54.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.401 ' OE1' ' OG ' ' A' ' 58' ' ' SER . 8.5 mt-10 -97.61 -61.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.356 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 11.6 m -55.93 -43.59 75.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 28.9 p -46.04 160.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.62 ' O ' HD13 ' A' ' 47' ' ' LEU . 4.6 tt0 86.53 0.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.633 ' HZ3' HG21 ' A' ' 102' ' ' VAL . 69.4 p-90 -166.15 -43.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -34.84 -42.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.461 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 24.9 m -44.22 -50.25 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -54.91 -58.53 13.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.633 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 92.7 t -47.92 -53.35 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -42.02 -49.13 4.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -70.41 -50.48 38.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.709 HD12 HG21 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -40.77 -52.53 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.682 HD11 HD11 ' A' ' 68' ' ' LEU . 34.1 mt -46.13 -70.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -44.94 -50.11 10.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.686 ' OE2' HD11 ' A' ' 41' ' ' ILE . 50.3 mt-10 -51.93 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.254 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.454 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 8.7 mmmt -46.43 -47.54 19.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.508 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 15.9 tttp -51.37 -46.96 62.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.48 -63.16 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.458 HG21 ' HB2' ' A' ' 66' ' ' ALA . 2.8 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mt -104.22 157.74 16.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.566 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 20.5 tt -60.71 -57.48 11.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.524 ' N ' HG23 ' A' ' 15' ' ' ILE . 33.3 mt-10 -60.14 -14.64 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.29 -36.36 34.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.855 HG21 ' CH2' ' A' ' 52' ' ' TRP . 59.3 t -89.21 -15.1 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 15' ' ' ILE . 0.6 OUTLIER -91.06 -43.23 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.486 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -39.33 -52.18 4.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.937 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.1 Cg_endo -75.06 -57.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.612 HD13 ' CD2' ' A' ' 48' ' ' LEU . 9.7 mt -44.24 -33.86 1.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -78.68 -40.77 32.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.496 ' CG ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -49.41 -23.56 1.56 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 110.249 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.699 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -78.19 -54.8 5.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.81 HD21 ' HB3' ' A' ' 42' ' ' SER . 14.9 tp -44.49 -58.06 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -48.98 -49.6 39.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -35.31 75.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' THR . 51.5 m -75.25 -27.67 59.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.286 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -67.66 -10.23 50.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.593 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 32' ' ' HIS . . . -127.16 29.92 4.22 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 31' ' ' GLY . 63.6 m-70 -162.22 -44.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 109.572 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 1.016 HG22 HG11 ' A' ' 37' ' ' VAL . 25.3 m -86.74 148.47 25.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.352 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HB2' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -51.62 -178.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -83.08 -65.35 1.02 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' LYS . 6.5 mp0 -37.85 -52.63 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 1.016 HG11 HG22 ' A' ' 33' ' ' THR . 2.4 p -47.08 -62.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.757 ' SG ' HD11 ' A' ' 26' ' ' LEU . 48.7 t -43.58 -63.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 38' ' ' CYS . 8.0 t70 -39.97 -35.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 37' ' ' VAL . 7.6 t70 -73.35 -65.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.8 mt -47.77 -60.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.81 ' HB3' HD21 ' A' ' 26' ' ' LEU . 53.9 p -46.88 -55.51 7.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.15 -37.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 22.6 mmt-85 -72.25 -48.73 40.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.54 HD12 HD22 ' A' ' 26' ' ' LEU . 13.5 mt -50.98 -53.32 34.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.28 -40.42 2.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.606 HD11 ' OE1' ' A' ' 97' ' ' GLN . 3.8 tt -73.68 -50.93 18.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.612 ' CD2' HD13 ' A' ' 22' ' ' LEU . 13.7 tp -42.1 -53.35 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -61.47 -50.81 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -53.04 -47.74 68.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.458 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 1.2 mt-30 -65.83 -37.72 86.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.855 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.3 t-105 -65.48 -62.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -59.12 -58.81 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.49 -35.76 0.13 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.45 29.08 9.73 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.46 -15.81 23.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.8 mt -83.18 151.3 25.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.648 ' OG ' HG23 ' A' ' 61' ' ' VAL . 10.9 p -87.23 156.92 19.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.0 mt -60.46 -45.15 97.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.01 -3.21 13.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.648 HG23 ' OG ' ' A' ' 58' ' ' SER . 2.0 t -91.36 -22.98 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.607 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 7.8 mttt -91.6 -41.97 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.416 ' NZ ' ' HB ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -62.68 -34.63 77.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.5 ' O ' HG21 ' A' ' 83' ' ' ILE . 2.7 mtt85 -75.11 -42.66 56.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.573 ' CE ' HD11 ' A' ' 22' ' ' LEU . 22.0 mmm -55.51 -60.38 3.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.458 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -38.71 -36.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.529 ' HB2' HG21 ' A' ' 83' ' ' ILE . 7.4 mt -57.8 -62.5 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -51.52 -40.02 58.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.629 HG21 HG13 ' A' ' 18' ' ' VAL . 38.2 t -61.02 -63.58 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.516 ' HA ' HD12 ' A' ' 73' ' ' LEU . 80.0 mm-40 -40.17 -42.44 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -65.77 -54.74 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.467 HD21 ' HE2' ' A' ' 109' ' ' LYS . 2.0 tt -50.93 -31.27 17.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.937 HD21 ' HB3' ' A' ' 21' ' ' PRO . 91.1 mt -66.78 -43.79 83.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 6.3 m170 -82.37 -1.81 51.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.61 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.484 ' CB ' ' O ' ' A' ' 74' ' ' HIS . 2.6 m170 85.94 -1.07 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.624 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -66.13 71.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.443 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 1.5 m95 -63.56 -48.78 76.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 107.972 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -45.26 -43.24 10.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.97 -50.54 33.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.606 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -44.56 -49.97 9.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.2 -42.16 99.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.5 -57.31 8.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.529 HG21 ' HB2' ' A' ' 67' ' ' LEU . 4.4 mt -63.98 -48.44 86.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.43 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -48.15 -39.18 19.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.562 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.544 ' O ' HG23 ' A' ' 89' ' ' VAL . 34.0 mmt180 -66.61 -55.13 16.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.8 m -47.22 -34.32 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 91' ' ' HIS . 6.1 mt -74.42 -42.88 58.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -8.5 25.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 85' ' ' ARG . 56.6 t -80.18 -62.86 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.6 -70.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.452 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 15.3 m-70 -77.26 61.22 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 93' ' ' THR . 5.9 p -84.3 -51.76 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.51 ' N ' HG13 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -65.53 -35.65 81.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -59.89 -46.63 88.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.602 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 19.3 m -79.24 -25.19 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 97' ' ' GLN . 10.8 p -54.53 174.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.024 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.606 ' OE1' HD11 ' A' ' 47' ' ' LEU . 0.1 OUTLIER 73.04 1.2 3.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.602 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.8 p-90 -165.69 -43.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 107.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.407 ' O ' ' SD ' ' A' ' 99' ' ' MET . 25.1 tpp -37.4 -33.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 27.1 m -53.29 -47.49 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.64 -62.71 6.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.592 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 74.2 t -40.79 -48.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -48.93 -49.79 38.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 101' ' ' GLY . 18.8 tpp180 -66.92 -47.29 72.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.699 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -45.96 -50.88 14.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.1 mt -49.26 -63.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.12 -63.26 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -47.1 -59.84 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.671 ' HA ' HD12 ' A' ' 112' ' ' LEU . 26.9 mmmt -45.03 -58.81 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.443 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 3.2 tttt -50.65 -49.03 58.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -51.4 64.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 109' ' ' LYS . 47.0 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 p -150.87 -58.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 0.0 109.974 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 48.37 84.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.75 -84.61 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.25 86.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.792 . . . . 0.0 110.006 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -142.49 134.36 27.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.75 150.97 23.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 p -153.61 126.29 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.1 mt -133.16 81.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -143.85 161.82 37.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -82.09 120.48 25.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -159.26 159.88 34.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m 58.19 156.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mt -136.06 148.34 48.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.4 tt -56.83 -44.23 81.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.97 -7.71 48.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.33 -32.08 15.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.879 HG21 ' CH2' ' A' ' 52' ' ' TRP . 40.6 t -92.9 -18.64 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -91.07 -39.27 12.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.492 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -40.41 -51.89 6.21 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.731 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.03 -58.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 48' ' ' LEU . 12.4 mt -44.58 -33.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' LEU . 24.6 mt-10 -82.02 -43.24 18.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -55.65 -27.28 48.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.507 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -73.3 -55.72 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.499 HD22 HD12 ' A' ' 45' ' ' LEU . 29.7 tp -40.25 -66.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -39.68 -43.31 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -49.81 76.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' LEU . 67.3 m -64.66 -45.66 85.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 108.324 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -43.95 -36.0 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 32' ' ' HIS . . . -104.06 43.2 1.72 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.44 ' CG ' ' O ' ' A' ' 31' ' ' GLY . 6.9 m80 -168.8 -67.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.59 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.9 m -69.52 157.69 36.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.11 154.86 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -24.95 61.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -77.31 -49.98 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.0 t -63.26 -42.8 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.5 t -66.62 -42.1 87.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 108.292 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -57.76 -41.61 82.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -59.28 -55.6 32.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.3 mt -50.89 -62.03 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.477 ' OG ' HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -40.73 -59.11 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.58 -43.56 5.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 40.8 mmt-85 -64.42 -40.91 96.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.499 HD12 HD22 ' A' ' 26' ' ' LEU . 12.8 mt -55.0 -56.09 23.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.04 -43.0 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.939 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.2 tt -66.3 -55.69 14.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.564 ' CD2' HD13 ' A' ' 22' ' ' LEU . 17.7 tp -41.56 -55.65 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -57.23 -53.95 52.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' GLY . 46.3 mm-40 -52.55 -53.14 50.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -63.71 -36.34 83.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.879 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.1 t90 -66.52 -64.15 0.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 108.026 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -56.81 -57.68 11.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.95 -43.93 0.92 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.44 19.98 10.02 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.59 -10.84 58.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 52' ' ' TRP . 54.4 mt -94.56 150.96 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.544 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -84.84 159.23 20.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.017 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.6 mt -62.3 -44.8 89.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.06 -5.17 16.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.54 ' CG2' ' ND1' ' A' ' 91' ' ' HIS . 2.2 t -90.69 -17.7 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.6 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -94.06 -50.41 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -29.96 59.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.449 ' O ' HG21 ' A' ' 83' ' ' ILE . 2.0 mtt180 -75.62 -42.26 52.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.532 ' CE ' HD11 ' A' ' 22' ' ' LEU . 20.0 mmm -57.81 -57.08 14.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.47 -41.95 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.846 ' HB2' HG21 ' A' ' 83' ' ' ILE . 9.6 mt -51.17 -65.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.809 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -48.44 -42.31 31.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.809 ' N ' HD23 ' A' ' 68' ' ' LEU . 54.2 t -60.49 -63.59 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.46 ' HA ' HD12 ' A' ' 73' ' ' LEU . 48.3 mm-40 -39.46 -41.33 0.96 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.424 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 9.6 mm-40 -66.64 -54.22 25.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tt -50.02 -29.01 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.731 HD21 ' HB3' ' A' ' 21' ' ' PRO . 93.6 mt -70.17 -47.08 63.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.465 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 1.5 m170 -78.15 -1.95 35.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.581 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.495 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 4.3 m170 84.71 0.13 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 0.0 109.602 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -67.66 67.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.1 m95 -60.53 -44.57 95.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 107.992 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.79 -40.33 28.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 82' ' ' ASP . . . -73.09 -50.28 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.68 -54.11 3.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -60.0 -38.97 84.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 79' ' ' ALA . 4.1 t0 -54.4 -64.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.846 HG21 ' HB2' ' A' ' 67' ' ' LEU . 4.5 mt -57.64 -40.27 74.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.548 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -58.02 -38.13 75.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.675 ' O ' HG23 ' A' ' 89' ' ' VAL . 20.9 mmt85 -66.71 -50.5 62.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.2 p -52.06 -35.67 48.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.446 ' CD2' ' HB2' ' A' ' 91' ' ' HIS . 5.2 mt -73.39 -40.02 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -8.91 49.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 85' ' ' ARG . 71.4 t -79.34 -60.54 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -95.69 -69.29 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.54 ' ND1' ' CG2' ' A' ' 61' ' ' VAL . 25.1 m-70 -77.63 62.4 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.612 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.65 -44.73 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.62 -47.74 58.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.387 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.442 ' CD ' HG21 ' A' ' 61' ' ' VAL . 15.7 mt-10 -47.58 -56.39 7.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.593 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 17.3 m -63.55 -34.01 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 p -51.57 172.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.939 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.7 mt-30 73.47 3.58 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.593 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.4 p-90 -168.73 -43.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.42 ' CE ' ' HB ' ' A' ' 95' ' ' VAL . 31.8 tpp -36.78 -51.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.459 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 30.4 m -39.62 -45.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.19 -53.43 44.79 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.511 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 75.2 t -57.09 -53.06 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -40.14 -41.99 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 104' ' ' ARG . 0.3 OUTLIER -73.55 -50.42 21.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.507 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -43.18 -57.69 2.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.526 HD11 HD11 ' A' ' 68' ' ' LEU . 23.1 mt -41.04 -68.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.07 -54.09 4.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -51.19 -68.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.339 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.479 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 2.0 mmmt -43.32 -47.57 6.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -54.93 -58.23 8.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.58 -54.87 7.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.411 HD21 ' CG ' ' A' ' 32' ' ' HIS . 1.2 mt -42.77 -52.53 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 t -42.97 -63.04 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.972 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 177.98 -67.24 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 158.31 42.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 29.0 t -139.02 149.51 44.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.061 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.5 m 63.25 136.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.968 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.128 . . . . 0.0 110.947 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -123.91 -59.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m 62.71 168.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.974 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.45 174.15 38.91 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 p -150.57 117.76 5.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -148.63 131.17 15.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.979 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.573 ' O ' HG23 ' A' ' 8' ' ' VAL . . . -131.59 174.1 20.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.45 1.094 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 7' ' ' GLY . 44.2 t -157.07 111.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.4 mm -119.21 143.67 29.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -161.93 -77.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.9 p 55.8 93.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -174.11 39.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.0 m -121.58 140.22 52.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.8 mt -114.13 150.25 34.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.401 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 17.8 tt -59.08 -42.01 85.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.94 -6.9 48.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.6 -29.2 15.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.931 HG21 ' CH2' ' A' ' 52' ' ' TRP . 44.8 t -93.7 -20.5 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.57 -34.58 13.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.509 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 1.6 mmt180 -44.74 -50.97 23.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.938 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.01 -52.33 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.572 HD13 ' CD2' ' A' ' 48' ' ' LEU . 11.7 mt -45.9 -38.29 7.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -71.11 -49.62 42.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -46.45 -44.12 17.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.488 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -64.28 -47.49 79.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.977 HD22 HD12 ' A' ' 45' ' ' LEU . 29.1 tp -50.02 -69.02 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -47.56 -48.97 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.87 -27.17 66.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' LEU . 1.3 m -81.32 -42.78 20.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -45.16 -42.69 9.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.65 -44.8 56.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.498 ' CE1' HD23 ' A' ' 112' ' ' LEU . 56.7 m80 -87.49 -86.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' CYS . 6.1 m -39.95 140.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.355 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.76 172.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -80.93 -54.26 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -48.62 -41.92 32.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.8 t -67.14 -57.14 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.44 -52.64 44.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 108.264 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -48.2 -39.97 22.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.85 -52.41 37.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.9 mt -55.28 -58.98 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.911 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -48.71 -40.83 29.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.051 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -35.43 66.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.474 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 18.4 mmt-85 -73.33 -47.57 41.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.977 HD12 HD22 ' A' ' 26' ' ' LEU . 14.9 mt -46.54 -52.15 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.57 -45.3 6.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 97' ' ' GLN . 2.9 tt -69.2 -50.21 49.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.674 HD13 ' CH2' ' A' ' 98' ' ' TRP . 10.0 tp -47.99 -49.85 29.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 52' ' ' TRP . 6.5 ttp180 -62.65 -63.17 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -40.27 -55.54 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -58.25 -37.13 74.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.931 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.3 t-105 -65.01 -64.6 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 107.994 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -54.17 -59.85 4.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -37.95 -31.72 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 89.54 29.93 15.05 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -90.48 -21.34 21.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 52' ' ' TRP . 75.2 mt -77.84 146.4 35.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.533 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -79.54 154.49 28.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 3.8 mt -59.07 -45.01 99.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -75.05 -4.3 15.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.645 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.2 t -90.93 -28.04 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.589 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 6.8 mttt -84.52 -40.12 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -38.16 87.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.503 ' O ' HG21 ' A' ' 83' ' ' ILE . 7.8 mtt-85 -70.22 -36.78 74.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.48 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.58 -57.69 9.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.983 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.76 -40.3 0.92 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.404 ' HB2' HG21 ' A' ' 83' ' ' ILE . 5.7 mt -53.37 -64.59 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.656 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -48.63 -43.59 36.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.656 ' N ' HD23 ' A' ' 68' ' ' LEU . 44.0 t -58.94 -61.24 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.64 ' HA ' HD12 ' A' ' 73' ' ' LEU . 46.2 mm-40 -41.8 -40.36 2.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.465 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 8.3 mm-40 -67.26 -53.1 33.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.53 HD21 ' HE2' ' A' ' 109' ' ' LYS . 2.0 tt -52.87 -25.99 13.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.938 HD21 ' HB3' ' A' ' 21' ' ' PRO . 82.6 mt -72.05 -41.01 67.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.497 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 1.1 m170 -85.42 -2.1 57.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.608 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.499 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.8 m170 86.95 -1.25 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.607 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -67.11 70.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.267 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.499 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -63.96 -43.61 95.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.026 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -37.91 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.465 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -75.78 -50.19 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.585 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -42.51 -54.17 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.74 -53.76 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -40.34 -58.98 1.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.503 HG21 ' O ' ' A' ' 64' ' ' ARG . 5.9 mt -63.11 -52.27 61.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.437 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -43.2 -50.08 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.576 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.87 ' O ' HG23 ' A' ' 89' ' ' VAL . 27.6 mmt180 -57.73 -54.38 47.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.7 m -53.39 -26.35 19.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.434 ' HB3' HG11 ' A' ' 95' ' ' VAL . 3.9 mt -82.3 -36.41 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.803 ' HG3' HG23 ' A' ' 92' ' ' VAL . 11.8 ttm -81.4 -9.93 59.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 85' ' ' ARG . 79.7 t -77.34 -53.16 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -95.53 -68.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.747 ' O ' HG22 ' A' ' 95' ' ' VAL . 31.5 m-70 -76.76 60.0 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.56 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.803 HG23 ' HG3' ' A' ' 88' ' ' MET . 3.1 p -82.42 -47.37 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.442 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -66.57 -16.08 63.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.407 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.46 ' OE1' HD23 ' A' ' 57' ' ' LEU . 28.0 mm-40 -90.31 -61.61 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.747 HG22 ' O ' ' A' ' 91' ' ' HIS . 26.1 m -58.73 -38.35 71.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 58.8 p -51.66 161.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.567 ' O ' HD13 ' A' ' 47' ' ' LEU . 4.7 tt0 85.9 1.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.679 ' HZ3' HG21 ' A' ' 102' ' ' VAL . 68.6 p-90 -166.45 -43.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 107.986 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 98' ' ' TRP . 0.4 OUTLIER -35.34 -43.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.449 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 28.6 m -43.49 -48.57 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.55 -59.49 10.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.128 . . . . 0.0 110.973 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.679 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 79.7 t -43.17 -50.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.547 ' HA ' HD12 ' A' ' 106' ' ' ILE . 6.6 tttt -47.26 -54.71 10.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -59.0 -52.64 64.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.488 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.8 OUTLIER -42.43 -51.38 4.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 103' ' ' LYS . 27.9 mt -49.8 -66.55 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -42.86 -62.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -49.19 -61.15 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.53 ' HE2' HD21 ' A' ' 72' ' ' LEU . 25.2 mmmt -42.99 -47.25 5.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -59.45 -47.09 86.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.85 -55.0 5.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.498 HD23 ' CE1' ' A' ' 32' ' ' HIS . 1.4 mp -40.44 -65.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.92 -65.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 105.78 -95.13 1.04 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.3 10.56 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.97 -58.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 57.77 91.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -112.54 122.11 46.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.9 169.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.042 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.71 -149.62 6.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -89.79 107.2 18.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.756 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m 56.16 170.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.97 -91.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.593 ' O ' HG12 ' A' ' 8' ' ' VAL . 73.6 t -142.67 65.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.2 mt -111.06 131.91 60.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -127.95 109.27 11.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 t -164.12 -55.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.63 163.9 27.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.477 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 1.3 m -140.13 141.17 36.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.43 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mt -103.95 143.48 32.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.561 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 19.9 tt -53.35 -50.27 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 63.3 mt-10 -61.25 -26.89 68.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.349 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.28 -26.67 60.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.988 HG21 ' CH2' ' A' ' 52' ' ' TRP . 91.5 t -94.93 -19.78 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.5 OUTLIER -92.52 -33.17 14.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.508 ' CD ' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -45.72 -51.52 28.86 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.931 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.4 Cg_endo -75.02 -53.97 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.518 HD13 ' CD2' ' A' ' 48' ' ' LEU . 18.5 mt -45.41 -37.93 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -74.28 -44.35 53.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -50.74 -41.68 56.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.617 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -63.23 -48.89 76.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.845 HD21 ' HB3' ' A' ' 42' ' ' SER . 16.0 tp -48.02 -51.41 24.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.87 -47.12 8.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 32' ' ' HIS . 27.1 m-20 -64.82 -52.62 55.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.447 ' SG ' ' CG2' ' A' ' 33' ' ' THR . 2.1 t -53.81 -36.69 62.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 108.255 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -25.11 64.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.611 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.04 26.91 7.67 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' ASP . 85.5 m-70 -153.01 -78.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.648 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.447 ' CG2' ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -59.47 156.34 13.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -50.87 147.03 5.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -60.99 -46.88 88.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -46.37 -55.28 7.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.9 t -58.99 -40.72 81.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.1 t -59.11 -58.7 7.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.3 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -51.2 -25.73 5.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -81.08 -58.99 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.507 HG21 HD12 ' A' ' 105' ' ' LEU . 98.5 mt -46.92 -62.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.845 ' HB3' HD21 ' A' ' 26' ' ' LEU . 14.1 p -45.61 -52.42 10.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.54 -36.66 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 6.4 mmt180 -71.78 -49.15 41.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.62 HD12 HD22 ' A' ' 26' ' ' LEU . 14.1 mt -48.61 -53.26 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.95 -37.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.638 HD11 ' OE1' ' A' ' 97' ' ' GLN . 3.3 tt -78.99 -56.34 4.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.729 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 4.3 tp -42.13 -53.38 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.53 ' HB2' HD11 ' A' ' 19' ' ' LEU . 1.5 ttt180 -59.26 -58.17 9.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -47.11 -53.89 11.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.66 -36.94 74.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.988 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.3 t-105 -63.71 -61.96 1.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 108.001 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -57.51 -59.85 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.57 -32.23 0.05 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 88.78 29.44 18.37 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.404 ' O ' ' OE2' ' A' ' 94' ' ' GLU . 1.8 mmmt -87.68 -27.47 22.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 mt -73.03 159.43 33.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.551 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -91.9 153.56 19.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.2 mt -56.94 -45.08 99.99 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.0 -3.79 14.44 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.534 1.807 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.633 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 1.5 t -91.34 -30.43 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.59 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 4.4 mttp -81.56 -39.76 24.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -39.78 94.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' O ' HG21 ' A' ' 83' ' ' ILE . 1.1 mtt180 -70.0 -30.5 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.423 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -67.08 -61.54 1.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.75 -41.25 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.1 mt -52.45 -65.5 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.563 HD23 ' C ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -48.05 -45.54 32.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.585 HG11 ' HG2' ' A' ' 21' ' ' PRO . 43.8 t -58.4 -62.39 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.481 ' HA ' HD12 ' A' ' 73' ' ' LEU . 49.4 mm-40 -39.23 -41.99 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 9.7 mm-40 -65.57 -54.82 22.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 tt -50.21 -30.37 11.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.931 HD21 ' HB3' ' A' ' 21' ' ' PRO . 92.3 mt -68.99 -45.22 71.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.456 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 8.3 m170 -79.98 -2.02 42.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.625 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.497 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.4 m170 85.08 -0.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.578 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -67.87 66.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.497 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -59.74 -44.57 93.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 107.988 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.68 -44.77 38.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.452 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -67.15 -52.06 46.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.404 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -41.33 -54.26 3.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.58 -58.78 5.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.74 -65.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.452 HD13 ' N ' ' A' ' 68' ' ' LEU . 11.6 mt -52.4 -51.49 32.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.465 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -42.36 -58.65 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.857 ' O ' HG23 ' A' ' 89' ' ' VAL . 21.1 mmt85 -48.9 -55.95 10.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.9 m -41.85 -42.68 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.027 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.457 ' HB3' HG11 ' A' ' 95' ' ' VAL . 5.5 mt -71.7 -46.24 59.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.437 ' HG3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -67.91 -8.42 36.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.857 HG23 ' O ' ' A' ' 85' ' ' ARG . 76.5 t -81.15 -59.17 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -95.57 -69.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.633 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 19.4 m-70 -77.64 62.03 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.58 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 93' ' ' THR . 4.9 p -85.7 -51.05 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.475 ' N ' HG13 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -64.64 -26.67 68.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 56' ' ' LYS . 5.1 mm-40 -74.84 -50.54 16.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.6 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 23.6 m -70.39 -29.97 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.8 p -53.54 171.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.638 ' OE1' HD11 ' A' ' 47' ' ' LEU . 0.1 OUTLIER 76.36 -0.23 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.729 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 67.8 p-90 -164.0 -44.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.05 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.495 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -35.19 -35.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.473 HG23 ' N ' ' A' ' 101' ' ' GLY . 31.1 m -51.57 -51.64 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -54.62 -60.57 8.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.492 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 95.0 t -48.39 -56.31 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.767 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -40.38 -54.93 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -46.36 85.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.617 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -43.64 -54.4 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.55 HD11 HD11 ' A' ' 68' ' ' LEU . 26.2 mt -45.73 -61.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -46.22 -56.54 5.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -49.7 -65.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.55 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 7.0 mmmt -42.33 -53.13 4.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -57.83 -48.49 79.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.59 -55.65 15.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.973 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.3 mt -40.82 -59.88 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.4 t -52.73 -62.6 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.028 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 64.98 82.0 0.11 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.42 4.58 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.4 m 61.59 125.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.0 m -55.97 136.27 51.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.945 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 0.0 111.025 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.45 139.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.784 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 m -148.56 160.7 42.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.57 -173.63 14.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.11 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 t -178.38 111.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -169.11 98.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.98 138.03 13.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.408 HG13 HD12 ' A' ' 9' ' ' ILE . 4.2 p -146.98 147.99 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.408 HD12 HG13 ' A' ' 8' ' ' VAL . 10.6 mt 62.36 141.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -132.54 122.41 24.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 p -174.91 156.47 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.04 166.49 10.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.503 HG21 ' HB2' ' A' ' 66' ' ' ALA . 1.1 m -128.37 144.85 51.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.436 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.473 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.7 mt -100.73 146.52 27.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.503 HG23 ' N ' ' A' ' 16' ' ' GLU . 15.9 tt -58.91 -55.21 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.503 ' N ' HG23 ' A' ' 15' ' ' ILE . 39.8 mt-10 -54.07 -31.07 50.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -30.18 66.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.842 HG21 ' CH2' ' A' ' 52' ' ' TRP . 59.3 t -91.8 -19.04 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.5 OUTLIER -89.98 -39.5 12.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -37.83 -52.79 2.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.657 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -74.96 -58.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.657 HD13 ' CD2' ' A' ' 48' ' ' LEU . 10.7 mt -45.17 -26.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' LEU . 11.2 mt-10 -88.9 -45.36 9.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.433 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 4.5 pt20 -60.14 -37.63 80.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.777 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -61.13 -48.19 82.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.919 HD12 ' SG ' ' A' ' 29' ' ' CYS . 28.2 tp -54.29 -63.46 1.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.9 mt-10 -37.67 -33.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -72.08 -54.64 9.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.919 ' SG ' HD12 ' A' ' 26' ' ' LEU . 13.9 p -58.56 -39.24 79.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 108.323 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -54.37 -35.96 63.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.615 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.55 32.54 6.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -159.15 -74.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.566 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.1 m -62.21 156.72 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -51.04 151.72 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -50.71 63.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.13 -43.5 7.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.97 -56.17 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.2 t -52.26 -53.6 41.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.286 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -21.98 4.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -85.33 -56.66 3.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.7 mt -53.37 -51.63 39.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.858 ' HB3' HD21 ' A' ' 26' ' ' LEU . 86.4 p -51.58 -48.8 63.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.71 -30.56 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.45 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 2.6 mmt180 -78.48 -46.77 18.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.683 HD12 HD22 ' A' ' 26' ' ' LEU . 22.5 mt -50.46 -49.94 53.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.69 -37.44 41.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.783 HD13 ' O ' ' A' ' 97' ' ' GLN . 2.4 tt -75.86 -49.59 17.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.897 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 1.3 tp -47.35 -59.28 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.556 ' HB2' HD11 ' A' ' 19' ' ' LEU . 1.7 ttt180 -55.14 -64.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -40.28 -50.71 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.4 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 1.1 mt-30 -64.02 -38.18 90.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.353 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.842 ' CH2' HG21 ' A' ' 18' ' ' VAL . 1.9 t90 -64.25 -61.2 2.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 108.006 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.99 -56.56 20.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.56 -32.37 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.28 16.56 43.19 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.39 -18.32 49.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.602 HD12 ' CB ' ' A' ' 52' ' ' TRP . 78.5 mt -85.11 144.03 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.509 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -75.18 160.7 30.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.76 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 3.5 mt -67.61 -44.55 44.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.01 -5.58 16.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.637 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.4 t -89.82 -19.59 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -93.74 -46.22 7.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.76 ' NZ ' HG22 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -55.87 -32.89 64.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.61 ' HB3' HD11 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -76.44 -40.43 50.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.486 ' CE ' HD11 ' A' ' 22' ' ' LEU . 25.1 mmm -56.05 -58.8 6.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.503 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -39.36 -45.48 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 64' ' ' ARG . 48.9 mt -53.56 -69.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.794 HD23 ' C ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -42.06 -41.51 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.794 ' N ' HD23 ' A' ' 68' ' ' LEU . 67.6 t -63.65 -53.11 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -50.31 -26.25 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 76' ' ' GLN . 6.3 mm-40 -80.32 -40.02 27.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.56 HD21 ' HG3' ' A' ' 109' ' ' LYS . 0.9 OUTLIER -65.96 -19.63 65.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.657 HD21 ' HB3' ' A' ' 21' ' ' PRO . 96.1 mt -79.45 -42.96 24.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.537 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 14.3 m-70 -80.64 -1.86 44.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.537 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 2.7 m170 89.9 -7.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' GLU . 22.1 mm-40 -64.62 84.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.488 ' CE2' ' O ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER -79.37 -34.85 41.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 108.051 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -47.91 84.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.45 ' HB1' ' CD ' ' A' ' 71' ' ' GLU . . . -61.43 -54.18 46.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.674 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -48.07 -47.75 33.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -62.18 -28.06 69.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 79' ' ' ALA . 5.0 t0 -70.77 -47.43 59.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.8 mt -70.94 -42.2 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.451 ' CE1' ' HD2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -49.64 -61.67 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.606 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.727 ' O ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -46.69 -57.49 4.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.4 p -48.77 -27.08 2.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' ' 64' ' ' ARG . 6.3 mt -83.86 -34.18 24.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.83 ' HG3' HG23 ' A' ' 92' ' ' VAL . 12.2 ttm -84.9 -9.96 57.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 85' ' ' ARG . 59.8 t -77.85 -52.41 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -95.29 -69.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.671 ' O ' HG22 ' A' ' 95' ' ' VAL . 41.4 m-70 -76.57 60.67 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.83 HG23 ' HG3' ' A' ' 88' ' ' MET . 2.7 p -83.21 -47.56 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.451 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -65.16 -11.18 37.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.392 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -95.63 -61.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 91' ' ' HIS . 27.0 m -60.22 -35.93 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 63.6 p -52.48 160.45 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.783 ' O ' HD13 ' A' ' 47' ' ' LEU . 4.1 tt0 85.64 4.8 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.897 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 67.6 p-90 -169.68 -43.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 107.972 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.433 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -36.47 -36.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.45 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 30.5 m -49.38 -49.77 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -56.5 -61.5 7.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.571 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 92.4 t -45.58 -51.09 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 0.757 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.451 ' HD2' ' CE1' ' A' ' 84' ' ' HIS . 11.6 tttm -48.23 -42.1 29.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.3 tpp85 -73.94 -52.04 14.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.777 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -41.38 -53.11 3.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.535 HG12 HD12 ' A' ' 72' ' ' LEU . 41.8 mt -48.14 -58.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.65 -48.81 63.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -56.95 -58.61 7.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.56 ' HG3' HD21 ' A' ' 72' ' ' LEU . 15.7 mmmt -45.22 -59.97 2.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.467 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 15.7 tttp -48.89 -48.77 42.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.76 -47.21 67.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.1 mt -49.81 -59.54 3.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.4 t -41.15 -59.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.74 -90.2 0.52 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.2 t 63.51 140.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.1 t 73.36 -68.42 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -155.88 98.93 1.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.76 . . . . 0.0 109.999 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.6 p -147.62 146.53 29.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.5 -64.19 0.44 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t 72.24 -67.04 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.988 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 m 62.01 124.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.032 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.76 -166.75 22.51 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 p -170.15 125.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.7 tt -72.01 164.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -134.58 96.18 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.4 m -151.0 147.06 26.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.044 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.36 152.86 19.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.34 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.504 HG21 ' HB2' ' A' ' 66' ' ' ALA . 24.1 m -106.39 133.89 50.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.2 mt -107.33 130.17 54.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.547 HD12 ' CD1' ' A' ' 52' ' ' TRP . 17.8 tt -47.19 -54.34 2.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.487 ' N ' HG23 ' A' ' 15' ' ' ILE . 45.3 mt-10 -51.16 -36.63 42.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.81 -26.62 62.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.038 HG21 ' CH2' ' A' ' 52' ' ' TRP . 50.4 t -88.35 -23.7 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.7 OUTLIER -89.68 -38.15 14.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -38.26 -52.6 3.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.596 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -75.01 -59.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.789 HD13 ' CD2' ' A' ' 48' ' ' LEU . 15.8 mt -44.52 -27.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 21' ' ' PRO . 16.3 mt-10 -88.87 -40.1 13.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.422 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 5.2 pt20 -65.89 -28.91 69.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.776 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -71.72 -42.79 66.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.809 HD21 ' HB3' ' A' ' 42' ' ' SER . 14.4 tp -52.69 -52.87 54.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -40.16 -44.21 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.409 ' OD2' HD13 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -59.24 -50.91 72.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.429 ' SG ' ' HB ' ' A' ' 33' ' ' THR . 1.0 OUTLIER -62.3 -49.6 75.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 108.348 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.13 -32.48 6.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.645 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.46 48.02 0.98 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.485 ' CB ' HD21 ' A' ' 112' ' ' LEU . 8.9 t60 -170.94 -71.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.735 . . . . 0.0 109.616 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.429 ' HB ' ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -71.97 151.99 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.362 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -40.64 159.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -49.0 20.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -45.15 -40.01 6.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.841 HG12 HD12 ' A' ' 41' ' ' ILE . 76.9 t -67.39 -56.05 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 23.6 t -47.7 -59.91 2.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 108.329 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -47.23 -33.06 5.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.85 -67.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.841 HD12 HG12 ' A' ' 37' ' ' VAL . 8.8 mt -44.7 -54.61 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.809 ' HB3' HD21 ' A' ' 26' ' ' LEU . 80.2 p -49.23 -49.67 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.97 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -27.39 6.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 4.5 mmt180 -79.39 -47.2 16.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.521 HD12 HD22 ' A' ' 26' ' ' LEU . 14.2 mt -52.33 -52.14 54.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.72 -41.58 15.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tt -72.74 -50.9 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.789 ' CD2' HD13 ' A' ' 22' ' ' LEU . 4.1 tp -43.99 -56.5 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.481 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -57.7 -52.53 65.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.92 -52.31 43.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -38.48 91.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 1.038 ' CH2' HG21 ' A' ' 18' ' ' VAL . 1.9 t90 -65.68 -67.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.33 -57.91 5.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.94 -25.28 0.92 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.8 13.42 69.68 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -69.53 -11.97 61.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 0.73 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.815 HD12 ' HA ' ' A' ' 52' ' ' TRP . 53.4 mt -91.83 157.51 16.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.547 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.3 m -89.06 162.9 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.027 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.6 mt -61.89 -45.92 92.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.98 -3.21 13.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.675 HG22 ' CG ' ' A' ' 91' ' ' HIS . 5.1 t -91.14 -29.55 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.594 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 4.8 mttt -83.79 -38.84 20.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -38.7 92.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.605 ' O ' HG21 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -75.12 -21.74 58.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.517 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -74.97 -55.39 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.504 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -52.18 -36.85 52.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 67' ' ' LEU . 22.1 mt -56.02 -65.41 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.914 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -46.43 -41.04 13.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.914 ' N ' HD23 ' A' ' 68' ' ' LEU . 65.7 t -62.22 -58.15 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.761 ' HA ' HD12 ' A' ' 73' ' ' LEU . 16.1 mm100 -44.78 -36.93 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.481 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 9.1 mm-40 -68.89 -50.63 47.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.412 HD21 ' HG3' ' A' ' 109' ' ' LYS . 2.6 tt -54.32 -24.19 18.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.761 HD12 ' HA ' ' A' ' 70' ' ' GLN . 43.5 mt -73.81 -45.87 48.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.546 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 11.1 m-70 -77.85 -2.06 34.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.634 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.546 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 2.4 m170 89.39 -7.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.622 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -64.36 84.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.522 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -79.72 -29.17 40.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 107.964 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.66 -31.21 72.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.481 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -79.79 -49.99 11.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.456 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -47.26 -40.56 16.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -69.13 -54.7 13.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.97 -51.6 5.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.605 HG21 ' O ' ' A' ' 64' ' ' ARG . 12.8 mt -65.2 -50.62 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.479 ' CE1' ' HG3' ' A' ' 88' ' ' MET . 0.1 OUTLIER -47.43 -45.45 25.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.623 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 89' ' ' VAL . 2.1 mmt180 -59.42 -60.26 4.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.8 p -46.17 -30.89 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.741 ' HB3' HG11 ' A' ' 95' ' ' VAL . 14.2 mt -76.69 -46.05 27.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.479 ' HG3' ' CE1' ' A' ' 84' ' ' HIS . 67.1 mmm -69.87 -8.77 51.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 85' ' ' ARG . 69.8 t -82.8 -56.57 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -95.04 -70.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.675 ' CG ' HG22 ' A' ' 61' ' ' VAL . 6.6 m-70 -77.17 61.83 2.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.597 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.547 HG13 ' N ' ' A' ' 93' ' ' THR . 9.7 p -84.79 -53.19 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.547 ' N ' HG13 ' A' ' 92' ' ' VAL . 33.5 p -61.87 -12.04 15.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -94.77 -61.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.741 HG11 ' HB3' ' A' ' 87' ' ' LEU . 10.3 m -63.28 -26.53 41.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 58.1 p -61.44 162.25 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.8 tt0 84.83 -0.11 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.594 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.6 p-90 -163.43 -45.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 107.96 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.432 ' CB ' ' O ' ' A' ' 95' ' ' VAL . 29.3 tpp -36.57 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 101' ' ' GLY . 35.3 m -53.37 -50.87 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.487 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -55.6 -58.64 13.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.567 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 83.6 t -43.26 -52.0 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.677 ' HA ' HD12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -47.2 -49.29 23.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -65.38 -55.14 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.776 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -41.36 -49.22 3.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 103' ' ' LYS . 17.3 mt -50.19 -66.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.22 -49.05 12.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.494 ' OE2' HG11 ' A' ' 37' ' ' VAL . 85.4 mt-10 -54.29 -67.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.412 ' HG3' HD21 ' A' ' 72' ' ' LEU . 18.5 mmmt -40.83 -54.09 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.522 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 3.5 tttm -48.57 -48.48 38.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.36 -57.46 11.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.485 HD21 ' CB ' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -45.41 -60.26 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.63 -55.59 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.036 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 58.47 83.33 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.99 42.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.9 p -128.66 -62.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.976 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.12 -58.35 2.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.06 109.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 109.993 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.5 163.4 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.16 113.62 3.98 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.71 97.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.976 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -87.08 159.62 18.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.73 147.27 4.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.4 t -97.85 78.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.1 mt -111.75 146.63 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 63.86 118.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.4 109.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.28 163.87 31.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.525 HG21 ' HB2' ' A' ' 66' ' ' ALA . 3.3 m -157.02 144.59 18.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 110.359 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mt -97.24 141.1 30.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.2 tt -61.45 -34.24 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.41 -8.14 55.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.89 -25.73 15.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.87 HG21 ' CH2' ' A' ' 52' ' ' TRP . 97.9 t -95.26 -19.94 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.586 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -93.08 -36.49 12.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -45.41 -50.77 29.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.681 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.4 Cg_endo -74.99 -50.03 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.541 1.811 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.545 HD13 HD21 ' A' ' 48' ' ' LEU . 11.6 mt -49.61 -43.41 46.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.19 -49.03 47.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.419 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 20.7 mm-40 -47.27 -41.68 19.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.285 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.825 ' HB3' HD21 ' A' ' 105' ' ' LEU . . . -62.65 -49.41 75.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.86 HD12 ' SG ' ' A' ' 29' ' ' CYS . 13.0 tp -49.65 -33.44 15.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.53 -29.36 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.445 ' HB3' ' CD1' ' A' ' 112' ' ' LEU . 4.6 m-20 -75.14 -31.23 61.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.86 ' SG ' HD12 ' A' ' 26' ' ' LEU . 13.5 p -87.13 -38.91 16.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 108.29 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.416 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -53.13 -33.41 52.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.7 34.55 5.68 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -159.36 -67.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 0.0 109.615 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' CYS . 2.9 m -65.0 153.9 39.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -53.37 132.69 39.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.57 -36.09 4.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -59.07 -70.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 37' ' ' VAL . 17.7 t -48.29 -28.86 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 9.3 t -71.03 -48.28 53.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 108.315 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -61.58 -24.87 66.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -76.48 -49.23 17.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.32 -55.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.365 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.59 ' HB3' HD21 ' A' ' 26' ' ' LEU . 20.8 p -45.34 -57.47 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -38.3 -35.91 0.2 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.453 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 4.1 mmt180 -71.62 -56.47 5.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.665 HD12 HD22 ' A' ' 26' ' ' LEU . 12.3 mt -47.62 -49.78 26.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.75 -34.76 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.484 HD21 ' HG3' ' A' ' 51' ' ' GLN . 3.4 tt -82.7 -59.2 2.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.738 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 5.8 tp -39.7 -39.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.586 ' HB2' HD11 ' A' ' 19' ' ' LEU . 15.8 ttt180 -72.06 -63.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 54' ' ' GLY . 49.9 mt-10 -43.58 -48.09 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.484 ' HG3' HD21 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -64.0 -37.41 87.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.87 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.1 t90 -65.86 -65.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -55.37 -59.78 4.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.82 -35.02 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.4 19.71 34.6 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -83.9 -18.28 37.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.48 -178.7 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 0.7 OUTLIER -114.41 149.61 35.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.611 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.2 mt -56.95 -46.0 99.91 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.04 -6.87 18.57 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.465 1.771 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.551 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 1.5 t -89.38 -18.3 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.649 ' NZ ' ' CD1' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -94.51 -44.4 7.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HE2' ' CG2' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.05 -34.82 68.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.585 ' HB3' HD11 ' A' ' 87' ' ' LEU . 1.1 mtt180 -78.79 -35.3 44.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.521 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.85 -53.94 42.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.525 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -49.01 -41.94 36.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.521 ' HB3' HD13 ' A' ' 83' ' ' ILE . 42.4 mt -52.07 -67.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.975 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -44.73 -44.53 9.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.975 ' N ' HD23 ' A' ' 68' ' ' LEU . 58.2 t -58.46 -56.19 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -47.91 -25.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.479 ' CD ' ' HB1' ' A' ' 79' ' ' ALA . 5.2 mm-40 -81.63 -39.21 24.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.24 -21.46 66.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.681 HD21 ' HB3' ' A' ' 21' ' ' PRO . 83.0 mt -77.72 -40.82 39.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.562 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 8.6 m170 -84.06 -2.06 56.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.644 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.562 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 2.2 m170 86.61 -2.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' GLU . 10.0 mm100 -67.73 70.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.494 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -64.62 -47.46 78.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 107.979 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.1 -52.47 20.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.479 ' HB1' ' CD ' ' A' ' 71' ' ' GLU . . . -57.53 -54.76 43.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.707 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -49.13 -43.65 41.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.68 -40.1 96.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.84 -54.0 50.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.521 HD13 ' HB3' ' A' ' 67' ' ' LEU . 26.1 mt -61.85 -42.69 95.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.446 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.84 -44.61 59.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.529 ' O ' HG23 ' A' ' 89' ' ' VAL . 15.4 mmt85 -63.67 -51.77 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.8 p -46.43 -37.24 7.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 64' ' ' ARG . 12.2 mt -73.78 -35.97 65.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.516 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -74.05 -9.03 58.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 85' ' ' ARG . 61.5 t -78.77 -52.7 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.64 -69.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.632 ' O ' HG22 ' A' ' 95' ' ' VAL . 4.0 m-70 -82.21 63.6 6.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.635 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 88' ' ' MET . 1.4 p -79.67 -39.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.89 -57.51 3.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -45.13 -55.82 5.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 91' ' ' HIS . 18.1 m -60.05 -35.36 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.364 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.522 ' O ' ' CD1' ' A' ' 98' ' ' TRP . 0.7 OUTLIER -49.97 177.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.465 ' OE1' HD11 ' A' ' 47' ' ' LEU . 12.5 mt-30 69.04 3.46 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.738 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 67.3 p-90 -168.0 -43.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 108.015 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.525 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -35.77 -35.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.518 HG23 ' N ' ' A' ' 101' ' ' GLY . 27.3 m -55.65 -53.47 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.518 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -49.77 -57.04 10.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.62 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 94.8 t -44.15 -53.07 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 0.755 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -48.5 -41.67 30.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -71.4 -55.82 7.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.825 HD21 ' HB3' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -42.02 -52.16 4.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 39.6 mt -50.67 -63.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.1 -51.98 9.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -53.62 -61.9 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -45.9 -57.4 4.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -51.62 -54.27 29.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.07 -54.15 7.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.037 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 74.6 mt -45.77 -53.52 9.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.01 82.55 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -123.98 82.45 0.35 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 148.58 35.36 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.98 97.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.951 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.3 t -144.07 -58.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.572 1.17 . . . . 0.0 110.956 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -135.09 152.81 52.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 110.057 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.21 169.65 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.16 -144.08 5.51 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.62 144.34 23.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 109.996 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.16 158.6 37.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.16 158.77 25.91 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 p -160.39 146.38 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.682 HG23 ' HD2' ' A' ' 63' ' ' LYS . 88.3 mt -140.89 134.92 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.364 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -171.98 158.89 4.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 m 61.45 107.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.985 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -64.44 176.41 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -132.77 145.2 50.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.373 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt -98.85 148.25 24.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.548 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 12.0 tt -65.88 -46.87 87.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -64.48 -11.24 31.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.66 -29.93 18.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.794 HG21 ' HH2' ' A' ' 52' ' ' TRP . 86.5 t -96.35 -18.12 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.96 -37.42 12.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.505 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER -41.79 -51.42 9.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.588 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -75.01 -53.56 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.463 HD11 ' CE ' ' A' ' 65' ' ' MET . 11.0 mt -44.72 -36.65 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -75.4 -46.38 33.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 2.2 mm-40 -47.49 -35.71 9.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.937 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -71.1 -50.48 33.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.844 HD21 ' HB3' ' A' ' 42' ' ' SER . 26.8 tp -47.79 -68.39 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -44.17 -48.35 9.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.438 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -57.23 -36.94 71.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' LEU . 6.2 m -75.31 -38.44 60.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.367 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.436 ' CE1' ' HZ2' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -59.23 -21.95 60.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.579 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.39 24.33 11.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.519 ' HB3' HD21 ' A' ' 112' ' ' LEU . 39.8 m-70 -152.52 -65.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.635 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.1 m -73.07 153.17 40.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.583 ' HB2' HG23 ' A' ' 37' ' ' VAL . 22.3 mtpp -40.48 159.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' HZ2' ' CE1' ' A' ' 30' ' ' HIS . 31.9 tptt -76.31 -46.54 27.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -57.89 -38.89 76.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.583 HG23 ' HB2' ' A' ' 34' ' ' LYS . 91.9 t -64.1 -49.0 83.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.05 -57.53 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 108.271 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.59 -38.0 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.37 -55.74 10.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.1 mt -55.93 -58.29 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.844 ' HB3' HD21 ' A' ' 26' ' ' LEU . 3.3 p -46.13 -50.32 15.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.71 -35.71 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -70.65 -54.27 12.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.782 HD12 HD22 ' A' ' 26' ' ' LEU . 14.0 mt -45.96 -52.55 11.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.14 -34.46 1.83 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.555 HD11 ' OE1' ' A' ' 97' ' ' GLN . 3.7 tt -80.14 -55.0 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.585 HD12 HD11 ' A' ' 57' ' ' LEU . 8.1 tp -41.57 -60.28 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 64.0 ttt-85 -52.32 -61.74 2.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' GLY . 46.2 mt-10 -44.54 -44.52 8.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.407 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -70.17 -38.02 75.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.794 ' HH2' HG21 ' A' ' 18' ' ' VAL . 1.9 t90 -65.67 -60.9 2.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 108.018 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -61.78 -55.02 34.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.42 -32.53 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 96.23 17.29 34.89 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -84.34 -27.38 27.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.761 . . . . 0.0 109.245 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.731 HD12 ' CB ' ' A' ' 52' ' ' TRP . 59.7 mt -74.19 144.18 44.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.513 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -80.06 162.26 24.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.974 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.793 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 3.9 mt -67.68 -44.72 44.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -74.98 -5.4 16.75 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.552 ' CG2' ' ND1' ' A' ' 91' ' ' HIS . 3.0 t -89.78 -19.73 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.581 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 1.0 OUTLIER -93.4 -46.66 7.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.793 ' NZ ' HG22 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -54.84 -31.49 59.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.506 ' HB3' HD11 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -76.81 -46.58 24.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.463 ' CE ' HD11 ' A' ' 22' ' ' LEU . 23.0 mmm -53.29 -58.33 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.4 -32.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.231 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.41 ' HB2' HG21 ' A' ' 83' ' ' ILE . 8.8 mt -65.0 -61.36 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.858 HD12 ' O ' ' A' ' 80' ' ' ALA . 1.3 tt -48.19 -44.6 32.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.588 HG11 ' HG2' ' A' ' 21' ' ' PRO . 46.4 t -59.1 -62.83 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.51 ' HA ' HD12 ' A' ' 73' ' ' LEU . 39.6 mm-40 -38.74 -40.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.443 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 10.6 mm-40 -66.85 -53.26 34.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 tt -50.96 -29.44 12.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 21' ' ' PRO . 94.2 mt -68.87 -47.64 65.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.24 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.499 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -76.65 -2.15 31.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.573 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.516 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 3.1 m170 87.3 -4.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.589 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -65.01 77.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.547 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 0.9 OUTLIER -72.65 -33.84 66.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 107.973 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -35.25 74.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -77.23 -49.8 14.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.858 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -41.57 -54.18 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -59.36 -54.0 51.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -40.61 -64.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.446 HD13 ' N ' ' A' ' 68' ' ' LEU . 10.4 mt -52.95 -55.19 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.469 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -41.12 -56.49 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.582 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 89' ' ' VAL . 20.3 mmt180 -48.62 -59.02 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.6 m -47.71 -35.88 10.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.009 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.506 HD11 ' HB3' ' A' ' 64' ' ' ARG . 8.6 mt -72.69 -32.77 66.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.915 ' HG3' HG23 ' A' ' 92' ' ' VAL . 9.8 ttm -80.9 -8.57 59.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 85' ' ' ARG . 45.6 t -75.63 -57.6 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -90.31 -52.52 4.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.572 ' O ' HG13 ' A' ' 95' ' ' VAL . 3.6 m-70 -99.07 74.04 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.64 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.915 HG23 ' HG3' ' A' ' 88' ' ' MET . 9.6 p -82.18 -53.96 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.557 ' N ' HG13 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -63.72 -54.54 33.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -42.39 -50.24 5.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.588 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 5.7 m -73.76 -32.57 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 12.8 p -56.86 160.7 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.954 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.555 ' OE1' HD11 ' A' ' 47' ' ' LEU . 4.8 tt0 85.63 0.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.588 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.8 p-90 -164.88 -44.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 98' ' ' TRP . 30.9 tpp -36.96 -32.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 101' ' ' GLY . 32.9 m -55.08 -51.63 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.5 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -53.38 -58.0 13.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.588 HG12 HD11 ' A' ' 106' ' ' ILE . 94.1 t -44.45 -55.78 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -44.12 -48.2 9.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -65.03 -55.71 17.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.937 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -43.24 -56.84 3.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.588 HD11 HG12 ' A' ' 102' ' ' VAL . 19.2 mt -44.69 -60.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.26 -49.91 65.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -53.46 -58.74 6.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.5 ' HD2' HD12 ' A' ' 112' ' ' LEU . 11.4 mmmt -47.36 -50.99 20.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.547 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 27.2 tttm -52.2 -41.31 62.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -52.16 66.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.519 HD21 ' HB3' ' A' ' 32' ' ' HIS . 69.8 mt -42.1 -53.86 3.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -52.03 65.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 69.53 80.35 0.26 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 73.47 4.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.558 1.82 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.58 112.19 10.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.03 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.46 108.2 18.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.02 -78.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -141.77 106.66 4.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.935 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.38 89.52 0.09 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.93 170.97 13.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -170.68 111.95 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.957 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.97 99.4 0.12 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.483 1.114 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.3 t -152.07 139.23 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.417 0.716 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.3 mt 64.76 134.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.29 62.05 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.1 t -56.0 -51.84 66.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 62.38 142.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.515 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 1.3 m -131.66 142.07 49.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.403 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 mt -100.97 147.93 25.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.567 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 14.1 tt -63.34 -39.84 86.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -70.75 -6.43 37.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.36 -27.74 13.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.89 HG21 ' CH2' ' A' ' 52' ' ' TRP . 22.3 t -95.3 -22.46 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -89.93 -40.66 12.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.481 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -38.33 -52.82 3.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.573 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.3 Cg_endo -74.95 -55.05 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.748 HD11 ' CE ' ' A' ' 65' ' ' MET . 10.4 mt -45.72 -32.17 2.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 19' ' ' LEU . 9.6 mt-10 -84.14 -48.73 9.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -52.75 -26.19 13.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.827 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -74.1 -38.85 63.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.687 HD11 ' SG ' ' A' ' 38' ' ' CYS . 7.4 tp -59.49 -54.87 41.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -45.94 -47.7 16.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -35.56 71.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' LEU . 11.3 m -75.46 -38.04 59.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 108.328 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -17.6 12.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.86 16.39 23.32 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.586 ' CD2' HD22 ' A' ' 112' ' ' LEU . 34.2 m-70 -149.8 -70.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.559 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 1.001 HG22 HG11 ' A' ' 37' ' ' VAL . 11.1 m -56.12 151.15 12.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HB2' HG12 ' A' ' 37' ' ' VAL . 3.3 mtmt -55.39 -176.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -83.7 -63.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -41.3 -52.83 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.001 HG11 HG22 ' A' ' 33' ' ' THR . 2.5 p -46.85 -62.73 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.692 ' H ' HG13 ' A' ' 37' ' ' VAL . 47.0 t -50.12 -61.44 2.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.96 -29.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 38' ' ' CYS . 1.3 t70 -80.26 -60.39 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.534 HD12 HG22 ' A' ' 37' ' ' VAL . 17.9 mt -50.72 -52.57 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.66 ' HB3' HD21 ' A' ' 26' ' ' LEU . 24.8 p -50.12 -56.39 11.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -40.72 -35.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.4 ' HB3' ' HA ' ' A' ' 98' ' ' TRP . 1.2 mmt85 -71.64 -48.62 46.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.469 ' CD1' HD22 ' A' ' 26' ' ' LEU . 8.5 mt -49.66 -55.19 14.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.39 -44.3 2.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.561 HD11 ' OE1' ' A' ' 97' ' ' GLN . 3.5 tt -71.3 -51.99 21.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.648 ' CD2' HD13 ' A' ' 22' ' ' LEU . 28.7 tp -41.84 -54.69 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -61.37 -49.13 78.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 54' ' ' GLY . 25.2 mt-10 -53.0 -47.22 68.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.443 ' HG3' HD21 ' A' ' 47' ' ' LEU . 1.2 mt-30 -69.66 -36.71 76.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.89 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.3 t-105 -66.85 -63.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.018 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -60.91 -54.47 44.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.05 -37.49 0.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.63 25.93 10.34 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -94.15 -23.52 17.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 52' ' ' TRP . 27.8 mt -71.89 158.3 36.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.645 ' OG ' HG23 ' A' ' 61' ' ' VAL . 9.6 p -96.91 155.97 16.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.6 mt -60.14 -45.04 97.82 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.0 -3.22 13.6 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.645 HG23 ' OG ' ' A' ' 58' ' ' SER . 2.0 t -92.03 -21.56 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.594 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 13.9 mttt -92.88 -42.16 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -35.68 78.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -72.88 -45.28 59.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.748 ' CE ' HD11 ' A' ' 22' ' ' LEU . 18.0 mmm -54.02 -58.52 7.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.54 -38.2 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.471 ' HB2' HG21 ' A' ' 83' ' ' ILE . 7.7 mt -56.29 -64.41 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.708 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -49.77 -42.45 46.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.708 ' N ' HD23 ' A' ' 68' ' ' LEU . 59.5 t -61.49 -56.5 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.668 ' HA ' HD12 ' A' ' 73' ' ' LEU . 41.1 mm-40 -45.85 -37.65 6.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.503 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 7.9 mm-40 -69.71 -51.44 34.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tt -52.37 -25.73 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 70' ' ' GLN . 60.7 mt -71.44 -46.47 59.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.516 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 12.0 m170 -78.51 -1.8 35.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.649 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.516 ' CB ' ' O ' ' A' ' 74' ' ' HIS . 2.3 m170 88.59 -7.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -63.14 82.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.55 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 0.9 OUTLIER -76.75 -36.05 57.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -57.93 -34.27 69.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.503 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -76.91 -49.84 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -45.36 -49.11 13.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.12 -44.49 95.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -50.45 -55.81 14.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.471 HG21 ' HB2' ' A' ' 67' ' ' LEU . 6.3 mt -64.3 -47.9 87.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -48.43 -38.81 20.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.622 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.482 ' O ' HG23 ' A' ' 89' ' ' VAL . 21.3 mmt85 -67.56 -56.1 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.8 p -46.48 -34.21 4.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.08 -39.96 65.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 85' ' ' ARG . 94.1 mmm -69.1 -8.68 47.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 85' ' ' ARG . 72.5 t -78.73 -61.46 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -95.74 -69.88 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.464 ' ND1' HG23 ' A' ' 61' ' ' VAL . 34.9 m-70 -74.73 61.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.627 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 93' ' ' THR . 4.4 p -88.55 -50.02 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.464 ' N ' HG13 ' A' ' 92' ' ' VAL . 1.0 OUTLIER -70.15 -9.85 56.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.42 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -89.13 -59.1 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.608 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 11.0 m -65.34 -32.43 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.6 p -50.78 170.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.561 ' OE1' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER 77.11 -0.2 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.608 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 69.0 p-90 -164.8 -44.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.0 tpp -37.79 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 101' ' ' GLY . 25.8 m -56.75 -48.39 81.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.54 -61.94 6.9 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.489 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 74.3 t -45.13 -47.55 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 0.728 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.435 ' HA ' HD12 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -47.02 -56.31 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -60.87 -50.22 74.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.827 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -42.01 -51.75 4.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.527 HD11 HD11 ' A' ' 68' ' ' LEU . 45.6 mt -47.15 -61.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.28 -51.38 11.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -55.19 -64.7 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.706 ' HA ' HD12 ' A' ' 112' ' ' LEU . 18.0 mmmt -40.8 -53.56 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.55 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 9.6 tttp -58.05 -53.17 61.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.8 t -51.86 -47.84 64.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 109' ' ' LYS . 55.3 mt -46.06 -53.58 9.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.2 t -63.81 -53.76 45.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 62.92 69.62 1.26 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.553 1.158 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 68.48 5.77 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 92.5 p -85.96 166.76 15.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.013 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.1 m -88.22 161.71 17.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -171.51 90.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.48 101.33 7.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.17 -114.6 0.1 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -139.0 133.53 31.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 0.798 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.46 156.89 20.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.972 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.3 176.96 16.68 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.5 t -149.33 129.82 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.3 mt -139.23 97.67 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -155.13 115.09 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.1 t -125.71 79.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -178.19 109.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.576 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 2.1 m -139.46 140.79 37.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.8 mt -112.27 144.65 41.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.493 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 14.5 tt -57.99 -35.73 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -73.11 -18.78 61.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.42 -22.93 21.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.913 HG21 ' CH2' ' A' ' 52' ' ' TRP . 48.6 t -95.49 -22.95 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -92.04 -31.52 15.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.497 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 2.6 mmt180 -48.09 -51.63 47.21 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.566 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.03 -51.11 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.791 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.534 HD13 ' CD2' ' A' ' 48' ' ' LEU . 10.4 mt -45.94 -41.25 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.96 -46.85 50.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -49.24 -29.59 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.77 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -76.77 -47.04 22.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.686 HD22 HD12 ' A' ' 45' ' ' LEU . 28.2 tp -49.5 -68.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -40.93 -41.66 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.456 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -61.76 -52.01 65.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' THR . 23.5 m -62.9 -49.72 73.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 108.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -41.36 -42.36 2.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.639 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.9 43.09 1.77 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.584 ' HB3' HD21 ' A' ' 112' ' ' LEU . 8.3 m80 -165.37 -64.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.607 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' CYS . 4.3 m -73.79 149.68 41.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -45.77 133.03 8.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -47.25 -54.55 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -41.21 -58.18 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.424 ' HB ' HG22 ' A' ' 33' ' ' THR . 70.9 t -51.71 -60.32 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.4 t -44.45 -60.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.281 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.01 -37.41 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' VAL . 4.5 t70 -70.48 -57.45 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.548 HG21 HD12 ' A' ' 105' ' ' LEU . 96.5 mt -49.79 -61.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.45 ' HB3' HD21 ' A' ' 26' ' ' LEU . 12.6 p -39.63 -59.06 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.28 -46.88 6.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.439 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 16.5 mmt180 -59.34 -40.97 88.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.686 HD12 HD22 ' A' ' 26' ' ' LEU . 11.1 mt -60.17 -56.01 26.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' LEU . . . -40.03 -46.63 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.14 -50.79 60.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.567 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 8.7 tp -45.74 -57.57 4.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.465 ' HB2' HD11 ' A' ' 19' ' ' LEU . 16.4 ttt180 -57.41 -59.41 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -44.52 -49.85 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -65.34 -37.68 87.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.913 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.0 t90 -65.68 -62.83 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 107.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -58.18 -58.31 9.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.87 -35.95 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.97 37.1 5.55 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' O ' ' OE2' ' A' ' 94' ' ' GLU . 2.0 mmtt -99.05 -23.69 15.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 52' ' ' TRP . 40.8 mt -78.26 148.28 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.538 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.2 m -78.16 163.15 26.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.9 mt -64.25 -45.26 78.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.03 -2.58 12.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.737 ' CG2' ' CD2' ' A' ' 91' ' ' HIS . 3.9 t -89.7 -27.33 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.615 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 24.2 mttt -86.38 -42.2 13.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -36.33 79.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -72.18 -44.26 63.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 66' ' ' ALA . 23.7 mmm -51.64 -61.56 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -38.17 -42.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.239 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.45 ' HB2' HG21 ' A' ' 83' ' ' ILE . 9.1 mt -50.35 -65.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.365 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.895 HD12 ' O ' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -48.45 -46.38 37.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.566 HG11 ' HG2' ' A' ' 21' ' ' PRO . 47.0 t -56.74 -59.27 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.493 ' HA ' HD12 ' A' ' 73' ' ' LEU . 16.8 mm100 -43.4 -43.36 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.497 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 9.0 mm-40 -63.71 -55.36 23.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 tt -46.4 -37.17 7.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 70' ' ' GLN . 59.0 mt -62.54 -48.0 81.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.445 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 33.7 m170 -75.83 -1.97 27.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.621 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.472 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.6 m-70 83.5 -1.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.625 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -67.26 70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.566 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 1.0 OUTLIER -63.66 -42.18 98.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 107.964 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.02 -41.47 59.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.497 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -70.69 -51.16 29.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.895 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -44.42 -52.98 7.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -58.99 5.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -39.82 -60.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.45 HG21 ' HB2' ' A' ' 67' ' ' LEU . 13.7 mt -57.34 -54.53 29.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -43.55 -49.69 7.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.576 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 1.012 ' O ' HG23 ' A' ' 89' ' ' VAL . 20.1 mmt85 -56.61 -48.39 77.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.9 m -53.66 -39.95 65.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.69 ' HB3' HG11 ' A' ' 95' ' ' VAL . 9.2 mt -71.68 -32.25 67.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.473 ' O ' ' CG ' ' A' ' 88' ' ' MET . 11.6 ttm -86.32 -8.71 57.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 1.012 HG23 ' O ' ' A' ' 85' ' ' ARG . 70.4 t -81.11 -50.56 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -95.34 -69.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.85 ' O ' HG22 ' A' ' 95' ' ' VAL . 1.5 m80 -75.12 61.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.62 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.413 HG23 ' HG3' ' A' ' 88' ' ' MET . 9.8 p -86.72 -14.71 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.0 p -97.37 -10.34 25.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.359 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 56' ' ' LYS . 5.8 mm-40 -104.05 -62.72 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.85 HG22 ' O ' ' A' ' 91' ' ' HIS . 10.1 m -55.26 -33.99 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.1 p -55.17 170.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.84 -0.42 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.678 ' HZ3' HG21 ' A' ' 102' ' ' VAL . 62.3 p-90 -160.94 -46.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.031 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.35 -45.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 29.4 m -45.22 -45.3 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.075 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.81 -57.2 21.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.678 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 88.2 t -50.4 -47.58 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.449 ' HD2' ' CE1' ' A' ' 84' ' ' HIS . 20.0 tttm -46.97 -47.41 21.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -69.01 -49.01 61.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 110.276 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.77 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -40.94 -55.82 2.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.666 HD11 HD11 ' A' ' 68' ' ' LEU . 22.1 mt -43.9 -65.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -42.13 -58.45 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -50.52 -64.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.728 ' HA ' HD12 ' A' ' 112' ' ' LEU . 23.1 mmmt -42.94 -50.42 5.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.566 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 46.1 tttt -55.57 -63.51 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.37 -53.11 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.963 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' A' ' 109' ' ' LYS . 6.8 mt -43.72 -60.24 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.6 t -41.92 -56.85 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 117.9 86.83 1.16 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.71 9.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.445 1.761 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.71 93.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.9 m -170.11 96.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.13 . . . . 0.0 110.947 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.21 103.04 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.785 . . . . 0.0 110.024 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -84.24 -58.55 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.13 -58.89 0.59 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.0 161.74 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 109.985 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 62.68 148.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.63 84.73 1.46 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -169.21 135.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.272 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.1 mt -139.16 146.49 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -109.05 120.04 41.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.35 142.48 22.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.51 175.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.485 HG21 ' HB2' ' A' ' 66' ' ' ALA . 17.3 m -158.75 136.37 10.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.79 150.42 20.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.537 HD12 ' CD1' ' A' ' 52' ' ' TRP . 19.4 tt -61.62 -50.68 79.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.446 ' N ' HG23 ' A' ' 15' ' ' ILE . 83.7 mt-10 -61.68 -15.46 40.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 -30.37 23.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.74 HG21 ' HH2' ' A' ' 52' ' ' TRP . 59.4 t -96.01 -19.89 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 15' ' ' ILE . 0.6 OUTLIER -89.66 -38.09 14.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.479 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 1.1 mmt180 -38.3 -52.67 3.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.564 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.3 Cg_endo -74.99 -58.31 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.71 HD11 ' CE ' ' A' ' 65' ' ' MET . 13.6 mt -45.22 -26.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 21' ' ' PRO . 9.1 mt-10 -90.12 -39.37 12.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.426 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 5.9 pt20 -66.21 -29.84 70.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.593 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -67.08 -51.67 51.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.675 HD11 ' SG ' ' A' ' 38' ' ' CYS . 12.3 tp -46.87 -47.35 21.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -46.24 -32.64 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.6 -39.29 73.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -77.03 -35.15 57.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -22.73 62.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.642 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.6 43.58 1.35 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.428 ' CB ' HD21 ' A' ' 112' ' ' LEU . 16.1 t60 -166.6 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.598 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.529 HG21 ' OE1' ' A' ' 108' ' ' GLU . 0.9 OUTLIER -68.4 151.75 46.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.413 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -45.6 155.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -69.66 -46.26 66.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -46.75 -47.68 20.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.03 -39.05 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.675 ' SG ' HD11 ' A' ' 26' ' ' LEU . 49.6 t -64.29 -53.47 48.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -49.9 -24.78 2.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.56 -59.31 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.6 mt -53.74 -59.08 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.635 ' HB3' HD21 ' A' ' 26' ' ' LEU . 23.3 p -42.07 -58.87 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.69 -46.15 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.452 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 62.6 mmt-85 -62.76 -41.06 99.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.418 1.074 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' ALA . 10.4 mt -53.84 -57.62 10.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' LEU . . . -40.02 -45.41 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.829 HD13 ' O ' ' A' ' 97' ' ' GLN . 0.9 OUTLIER -66.07 -58.88 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.669 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 8.7 tp -40.43 -52.12 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -63.72 -61.79 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -44.73 -50.11 10.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.42 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -66.35 -38.28 87.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.74 ' HH2' HG21 ' A' ' 18' ' ' VAL . 1.8 t90 -64.45 -63.24 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 108.005 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.51 -56.71 18.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.51 -34.24 0.24 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.31 18.96 29.4 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -84.01 -14.15 51.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.401 HD12 ' CB ' ' A' ' 52' ' ' TRP . 46.1 mt -91.65 136.6 33.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.512 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -68.1 161.01 27.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.009 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.668 HG22 ' CE ' ' A' ' 63' ' ' LYS . 2.8 mp -67.31 -44.54 47.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -75.07 -5.62 16.99 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.48 HG22 ' CG ' ' A' ' 91' ' ' HIS . 2.5 t -89.52 -20.11 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -94.36 -45.87 7.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.668 ' CE ' HG22 ' A' ' 59' ' ' ILE . 1.7 mtmp? -54.68 -35.09 63.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.912 ' CB ' HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -71.64 -40.61 69.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.71 ' CE ' HD11 ' A' ' 22' ' ' LEU . 22.0 mmm -57.25 -57.44 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.485 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -39.09 -43.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.0 mt -54.51 -66.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.858 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -45.28 -43.41 10.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.858 ' N ' HD23 ' A' ' 68' ' ' LEU . 76.1 t -58.9 -53.71 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -51.37 -29.24 14.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.47 ' CD ' ' HB1' ' A' ' 79' ' ' ALA . 6.0 mm-40 -75.75 -41.0 54.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.792 HD21 ' HG3' ' A' ' 109' ' ' LYS . 0.9 OUTLIER -63.14 -26.09 68.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.0 mt -79.14 -37.65 38.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.551 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER -83.39 -2.0 54.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.585 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.551 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 0.7 OUTLIER 82.91 -3.21 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.623 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 71' ' ' GLU . 29.5 mm-40 -69.15 61.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.518 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -56.19 -46.71 79.31 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -49.05 -50.68 35.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.47 ' HB1' ' CD ' ' A' ' 71' ' ' GLU . . . -60.01 -54.16 49.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.356 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.619 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -45.37 -46.06 12.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.16 -38.84 92.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -58.54 -50.22 74.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.5 mt -68.6 -43.63 83.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.408 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.38 -57.9 6.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.551 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.785 ' O ' HG23 ' A' ' 89' ' ' VAL . 22.6 mmt180 -51.21 -53.15 37.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.333 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.6 m -47.94 -44.12 29.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 110.038 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.912 HD21 ' CB ' ' A' ' 64' ' ' ARG . 30.5 mt -67.47 -29.99 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.772 ' HG3' HG23 ' A' ' 92' ' ' VAL . 12.4 ttm -87.84 -9.24 54.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 85' ' ' ARG . 78.7 t -83.46 -49.7 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.5 -69.64 0.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.576 ' O ' HG13 ' A' ' 95' ' ' VAL . 15.5 m-70 -81.66 62.62 5.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.584 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.772 HG23 ' HG3' ' A' ' 88' ' ' MET . 3.5 p -81.9 -50.81 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.487 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 31.5 p -62.57 -11.82 18.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -95.77 -61.93 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.746 HG11 ' HB3' ' A' ' 87' ' ' LEU . 10.5 m -61.71 -27.46 42.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 58.1 p -61.08 163.22 6.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.829 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.5 tt0 83.24 1.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.669 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 69.7 p-90 -164.12 -46.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 108.04 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.485 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.4 OUTLIER -37.92 -42.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.452 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 27.2 m -45.53 -46.7 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -59.47 -59.96 9.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.475 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 76.7 t -47.82 -46.96 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.95 -52.96 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -61.73 -47.85 83.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.593 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -40.64 -60.21 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.486 HD11 HD11 ' A' ' 68' ' ' LEU . 17.4 mt -44.45 -52.26 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.79 -42.55 75.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.529 ' OE1' HG21 ' A' ' 33' ' ' THR . 2.2 mm-40 -61.6 -66.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.792 ' HG3' HD21 ' A' ' 72' ' ' LEU . 17.9 mmmt -40.62 -54.42 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -48.16 -55.56 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.66 -59.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.428 HD21 ' CB ' ' A' ' 32' ' ' HIS . 1.8 mp -54.09 -60.65 3.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.467 ' HB2' ' CZ2' ' A' ' 77' ' ' TRP . 43.7 m -74.37 78.66 1.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -115.75 91.2 0.55 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -44.38 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 98.9 p -105.08 170.39 7.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.948 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.2 m -125.54 118.42 25.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.002 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.33 79.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 110.018 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -96.5 91.74 5.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.14 164.46 30.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.27 155.54 30.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 0.749 . . . . 0.0 109.986 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.8 p -131.91 78.89 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.83 116.87 3.11 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 p -168.01 135.18 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 109.286 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.0 mt -134.43 133.56 54.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -175.51 -44.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 p -161.18 146.73 14.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.992 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.58 151.69 44.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.592 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 1.4 m -116.79 140.48 49.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.418 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mt -105.34 151.9 23.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.56 ' CD1' ' HB2' ' A' ' 53' ' ' ALA . 19.5 tt -62.02 -41.06 89.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 20' ' ' ARG . 39.8 mt-10 -75.01 -8.0 55.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.51 -31.27 16.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.935 HG21 ' CH2' ' A' ' 52' ' ' TRP . 38.7 t -92.84 -16.1 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.434 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -92.02 -37.38 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.514 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -43.13 -50.84 14.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.717 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.02 -53.2 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.548 HD13 ' CD2' ' A' ' 48' ' ' LEU . 8.4 mt -43.61 -39.93 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -73.77 -48.09 34.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -46.55 -46.54 19.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.67 ' HB1' ' HD3' ' A' ' 109' ' ' LYS . . . -57.71 -55.03 40.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.695 HD21 ' HB3' ' A' ' 42' ' ' SER . 32.4 tp -43.46 -54.94 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -41.11 -43.62 2.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -54.81 26.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.46 ' SG ' HD12 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -55.3 -46.66 76.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.254 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.46 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -49.9 -24.1 2.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.28 34.18 4.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -160.02 -66.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 109.593 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.82 150.63 48.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.44 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.3 146.75 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -29.44 70.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -68.91 -57.16 5.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.0 t -58.46 -31.97 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.5 t -67.19 -52.1 45.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 108.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -54.52 -32.96 59.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.73 -64.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 52.9 mt -41.61 -62.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.695 ' HB3' HD21 ' A' ' 26' ' ' LEU . 78.7 p -44.06 -54.52 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -47.86 -39.04 17.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.468 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 15.4 mmt180 -69.17 -36.54 77.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.543 HD12 HD22 ' A' ' 26' ' ' LEU . 15.5 mt -59.78 -55.93 28.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.47 -45.54 2.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.73 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.2 tt -67.75 -56.36 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.796 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 2.3 tp -40.58 -52.27 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.434 ' HB2' HD11 ' A' ' 19' ' ' LEU . 29.7 ttt85 -62.07 -44.13 97.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' GLY . 31.4 mt-10 -61.09 -46.56 90.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -68.13 -38.56 82.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.935 ' CH2' HG21 ' A' ' 18' ' ' VAL . 1.7 t-105 -63.15 -61.66 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.56 ' HB2' ' CD1' ' A' ' 15' ' ' ILE . . . -60.75 -56.8 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.45 -33.59 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 97.69 7.76 56.42 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' O ' ' OE1' ' A' ' 94' ' ' GLU . 1.5 mmmt -71.56 -10.64 60.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 52' ' ' TRP . 76.0 mt -96.77 142.44 28.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.547 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.1 m -75.08 162.68 28.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.633 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 6.1 mt -64.22 -45.03 78.61 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -75.03 -2.57 12.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.661 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.5 t -89.83 -29.4 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.611 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 34.3 mttm -84.92 -42.06 15.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -35.43 77.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.756 ' CB ' HD21 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -75.11 -42.38 56.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.317 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -57.49 10.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.432 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -42.05 -35.96 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.3 -61.88 2.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.631 HD23 ' C ' ' A' ' 68' ' ' LEU . 1.1 tt -49.18 -42.9 41.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.633 HG21 HG13 ' A' ' 18' ' ' VAL . 46.9 t -61.01 -60.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.425 ' HA ' HD12 ' A' ' 73' ' ' LEU . 64.5 mm-40 -42.45 -43.69 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 44.1 mm-40 -63.81 -55.59 21.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tt -49.55 -33.37 14.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' A' ' 21' ' ' PRO . 88.8 mt -66.19 -43.98 85.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.471 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 10.0 m-70 -80.56 -2.29 45.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.548 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.512 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 3.4 m170 85.16 0.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.624 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.404 ' CB ' ' OE1' ' A' ' 71' ' ' GLU . 35.5 mm-40 -69.3 70.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.516 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -65.7 -37.89 87.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 108.037 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.58 -34.44 64.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.411 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -79.35 -49.24 12.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.464 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -43.33 -53.99 4.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -57.17 -55.51 33.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -39.89 -57.75 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.9 mt -61.63 -56.94 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.47 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -40.71 -49.19 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.571 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.983 ' O ' HG23 ' A' ' 89' ' ' VAL . 33.5 mmt180 -58.18 -49.44 77.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.7 p -51.38 -41.77 60.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.756 HD21 ' CB ' ' A' ' 64' ' ' ARG . 74.0 mt -71.52 -45.03 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -8.48 38.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 85' ' ' ARG . 55.2 t -84.52 -50.67 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.58 -69.69 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.661 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 7.5 m-70 -82.33 64.45 7.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.627 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.449 ' O ' ' CB ' ' A' ' 96' ' ' SER . 3.6 p -84.58 -40.18 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.1 p -72.54 -16.71 61.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 56' ' ' LYS . 7.8 mm-40 -88.05 -61.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.601 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 18.5 m -58.64 -30.81 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 21.3 p -59.43 161.05 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.73 ' O ' HD13 ' A' ' 47' ' ' LEU . 6.7 tt0 85.32 0.68 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.796 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 66.6 p-90 -163.59 -44.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' TRP . 0.4 OUTLIER -37.62 -47.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.468 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 35.1 m -41.21 -42.93 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -62.58 -55.18 28.7 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.536 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 53.0 t -56.16 -47.95 79.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.51 ' HA ' HD12 ' A' ' 106' ' ' ILE . 3.5 tmtt? -46.81 -54.02 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -59.99 -48.4 81.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.539 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -42.35 -51.1 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 103' ' ' LYS . 34.1 mt -46.77 -61.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -46.61 -59.14 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -50.31 -67.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.67 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -42.12 -53.02 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.516 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 23.4 tttt -56.45 -54.18 48.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.36 -51.71 18.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.4 mt -41.44 -59.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.1 -64.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 53.49 67.72 2.0 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.86 -46.61 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.548 1.815 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.83 105.22 8.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 109.977 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 58.8 p -96.35 158.17 15.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -163.85 127.3 2.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.052 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.55 148.6 12.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.24 -143.73 9.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 t 54.06 79.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.961 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 t -90.75 147.69 23.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.81 -74.1 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.1 t 60.1 68.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.8 mt -130.87 132.13 64.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.26 119.66 7.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.27 144.9 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.97 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.56 133.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.528 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 2.4 m -153.34 147.22 25.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mt -115.76 149.73 38.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.413 HD12 ' CD1' ' A' ' 52' ' ' TRP . 21.5 tt -57.85 -43.51 84.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -70.73 -6.43 37.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.87 -32.53 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.926 HG21 ' CH2' ' A' ' 52' ' ' TRP . 42.8 t -90.8 -22.43 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -89.68 -38.29 13.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -38.95 -52.34 3.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.581 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.93 -58.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 48' ' ' LEU . 11.7 mt -45.45 -27.55 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 19' ' ' LEU . 11.0 mt-10 -86.73 -46.61 9.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.433 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 6.2 pt20 -61.07 -29.45 69.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.795 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -68.11 -44.35 76.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.65 HD21 ' HB3' ' A' ' 42' ' ' SER . 17.7 tp -51.88 -60.9 2.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -44.73 -46.56 10.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.46 -37.27 75.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' THR . 62.4 m -75.53 -43.7 47.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.7 -25.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.093 . . . . 0.0 109.581 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.21 -34.28 10.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.565 1.166 . . . . 0.0 111.037 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 29' ' ' CYS . 79.9 t60 -101.44 -72.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 1.026 HG22 HG11 ' A' ' 37' ' ' VAL . 8.2 m -42.4 152.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HB2' HG12 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -55.79 -166.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -94.82 -59.75 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.36 -45.07 35.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.026 HG11 HG22 ' A' ' 33' ' ' THR . 2.6 p -48.61 -60.85 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.654 ' H ' HG13 ' A' ' 37' ' ' VAL . 49.0 t -47.72 -59.63 3.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 38' ' ' CYS . 20.3 t70 -39.62 -34.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -76.22 -60.02 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.439 HG21 HD12 ' A' ' 105' ' ' LEU . 89.9 mt -49.92 -58.2 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.65 ' HB3' HD21 ' A' ' 26' ' ' LEU . 89.9 p -47.08 -54.46 10.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -38.56 22.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.435 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 30.9 mmt180 -69.84 -44.01 70.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.441 HD12 HD22 ' A' ' 26' ' ' LEU . 10.5 mt -53.54 -55.74 22.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.17 -43.39 1.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.3 tt -67.11 -55.02 16.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.663 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 6.2 tp -42.57 -53.8 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -58.2 -51.64 68.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.344 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 54' ' ' GLY . 31.2 mm-40 -54.71 -55.57 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.62 -37.17 80.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.926 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.1 t-105 -66.0 -64.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 107.996 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -54.09 -59.15 5.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -38.6 -30.79 0.1 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 87.1 31.68 16.5 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.34 -26.36 22.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 52' ' ' TRP . 20.2 mt -75.72 160.23 30.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.531 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.8 OUTLIER -86.8 158.72 19.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.1 mt -63.2 -44.96 85.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -74.98 -2.63 12.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.62 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.3 t -90.69 -25.75 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.587 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 30.7 mttm -89.37 -41.36 12.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.34 80.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.614 ' HB3' HD11 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -73.82 -42.87 60.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.569 ' HE1' HD11 ' A' ' 22' ' ' LEU . 16.7 mmm -53.69 -58.81 5.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -38.76 -45.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.6 mt -51.46 -68.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.872 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -44.98 -43.12 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.872 ' N ' HD23 ' A' ' 68' ' ' LEU . 74.5 t -60.55 -50.65 79.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.458 ' HA ' HD12 ' A' ' 73' ' ' LEU . 86.3 mm-40 -53.71 -30.12 42.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.466 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 4.9 mm-40 -74.48 -43.18 57.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.496 HD12 HG12 ' A' ' 106' ' ' ILE . 2.8 tt -61.51 -25.29 67.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 70' ' ' GLN . 65.8 mt -75.59 -41.09 55.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.488 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 29.0 m170 -83.24 -2.44 55.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.518 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.7 m170 84.46 1.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.615 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' GLU . 29.4 mm-40 -71.38 59.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.518 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -54.21 -53.05 58.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -43.09 -52.81 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.466 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -57.29 -54.81 42.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.69 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -45.06 -51.12 10.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.54 -36.86 69.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 79' ' ' ALA . 1.3 t70 -60.69 -58.57 7.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.0 mt -59.37 -46.28 92.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.472 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.1 -49.89 50.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.634 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.904 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.3 mmt85 -54.47 -52.38 62.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.6 p -48.42 -40.99 27.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.614 HD11 ' HB3' ' A' ' 64' ' ' ARG . 17.5 mt -71.76 -43.34 65.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -9.15 50.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 85' ' ' ARG . 71.8 t -80.55 -55.28 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -95.09 -69.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.668 ' O ' HG22 ' A' ' 95' ' ' VAL . 13.9 m-70 -75.85 60.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.571 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 93' ' ' THR . 6.0 p -84.91 -49.57 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.463 ' N ' HG13 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -67.53 -21.36 65.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.388 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -81.48 -61.49 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 91' ' ' HIS . 25.6 m -57.39 -38.63 63.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.1 p -48.75 174.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.82 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER 73.46 2.92 4.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.262 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.663 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 69.3 p-90 -167.72 -44.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 108.011 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.468 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -37.09 -47.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.958 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.435 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 28.8 m -42.34 -46.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -58.85 -48.51 85.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.098 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.531 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 68.3 t -61.53 -55.59 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 0.731 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -42.79 -50.15 5.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -62.76 -50.48 70.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.255 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.795 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -43.07 -59.76 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.325 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.571 HD11 HD11 ' A' ' 68' ' ' LEU . 40.1 mt -41.85 -59.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.3 -48.17 36.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -58.97 -64.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.403 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 6.9 mmmt -40.76 -48.2 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' SER . 14.7 tttm -57.95 -50.92 71.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' LYS . 0.1 OUTLIER -39.44 -54.16 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 mp -49.24 -63.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.99 79.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -133.13 97.21 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.432 1.083 . . . . 0.0 111.042 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 73.72 4.22 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.3 p -165.52 -58.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.37 -57.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t 66.25 163.23 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -168.26 173.79 7.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.75 -153.79 14.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -170.48 173.65 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -53.0 176.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.011 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.37 157.64 22.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 t -137.65 112.1 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.255 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.561 HD13 ' OE1' ' A' ' 70' ' ' GLN . 32.8 mt -122.86 134.43 66.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -175.89 139.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.308 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.45 -176.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 13' ' ' THR . 2.2 mt-10 -62.76 -21.5 65.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.538 ' CG2' ' HB2' ' A' ' 66' ' ' ALA . 3.0 m 60.43 125.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.0 mt -106.33 151.71 24.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.507 HD12 ' CD1' ' A' ' 52' ' ' TRP . 19.3 tt -61.91 -49.29 84.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.402 ' N ' HG23 ' A' ' 15' ' ' ILE . 1.9 mm-40 -65.92 -16.76 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.73 -33.6 30.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.915 HG21 ' CH2' ' A' ' 52' ' ' TRP . 63.4 t -89.3 -21.15 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -90.11 -37.0 14.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.591 1.182 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.486 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 2.6 mmt180 -38.87 -52.34 3.74 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 110.348 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.641 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.06 -58.0 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.751 HD13 ' CD2' ' A' ' 48' ' ' LEU . 21.1 mt -45.43 -28.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' LEU . 15.3 mt-10 -85.66 -46.07 11.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.435 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 5.8 pt20 -62.35 -28.83 70.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.591 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -71.24 -50.28 34.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.778 HD22 HD12 ' A' ' 45' ' ' LEU . 41.5 tp -46.14 -61.41 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.19 -45.96 5.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.56 -41.21 72.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 26' ' ' LEU . 82.0 m -70.43 -42.22 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 108.317 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -42.47 -54.57 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.96 47.58 2.95 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.457 ' CG ' ' CD2' ' A' ' 112' ' ' LEU . 6.4 m80 -167.29 -76.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.6 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.4 m -66.59 151.69 46.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.419 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.96 170.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -82.42 -48.07 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -50.9 -35.05 30.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.2 t -76.49 -54.64 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -41.54 64.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 108.344 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -31.68 72.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -71.41 -60.73 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 44' ' ' ARG . 29.4 mt -49.75 -61.21 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.775 ' HB3' HD21 ' A' ' 26' ' ' LEU . 39.4 p -42.24 -54.87 3.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.4 -34.84 1.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.447 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 3.9 mmt180 -71.55 -51.53 22.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.778 HD12 HD22 ' A' ' 26' ' ' LEU . 14.9 mt -43.02 -50.68 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.39 -45.05 35.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.751 HD13 ' O ' ' A' ' 97' ' ' GLN . 2.0 tt -68.69 -41.2 79.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.751 ' CD2' HD13 ' A' ' 22' ' ' LEU . 13.5 tp -55.14 -62.08 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 53' ' ' ALA . 68.1 ttt180 -51.17 -60.82 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -42.52 -54.57 3.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.47 ' HB3' HD21 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -60.76 -38.77 86.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.915 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.2 t90 -65.83 -66.83 0.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 49' ' ' ARG . . . -50.7 -59.11 4.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.04 -40.43 1.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.2 12.74 32.97 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -26.17 61.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 51' ' ' GLN . 46.0 mt -73.97 147.97 42.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.501 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -81.64 149.13 28.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.603 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.1 mt -55.36 -45.57 99.84 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.06 -5.63 17.01 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.519 1.8 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.582 HG23 ' ND1' ' A' ' 91' ' ' HIS . 2.2 t -92.13 -20.92 6.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.576 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 2.0 mttp -88.76 -47.85 7.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -29.33 67.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.565 ' HB3' HD11 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -77.12 -45.69 26.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.597 ' HE2' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -52.97 -58.31 7.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.538 ' HB2' ' CG2' ' A' ' 13' ' ' THR . . . -39.61 -35.45 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mt -62.01 -62.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.769 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.55 -34.05 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.769 ' N ' HD23 ' A' ' 68' ' ' LEU . 68.3 t -72.4 -60.06 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.69 ' HA ' HD12 ' A' ' 73' ' ' LEU . 38.0 mm-40 -41.28 -37.94 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 9.2 mm-40 -66.76 -51.22 58.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.521 HD12 HG12 ' A' ' 106' ' ' ILE . 2.0 tt -54.56 -27.28 37.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 70' ' ' GLN . 62.4 mt -70.59 -45.76 64.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.54 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -79.11 -1.73 37.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.616 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.54 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 1.7 m170 88.49 -3.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.642 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -66.1 73.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.528 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -68.43 -38.24 81.01 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -41.52 70.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -70.52 -51.27 29.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -40.04 -54.95 2.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -60.6 -45.82 92.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -45.12 -66.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.9 mt -54.23 -52.42 38.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.239 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.534 ' CG ' ' N ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -40.32 -70.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.59 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.714 ' O ' HG23 ' A' ' 89' ' ' VAL . 24.2 mmt180 -39.77 -63.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.1 m -47.27 -36.74 9.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.565 HD11 ' HB3' ' A' ' 64' ' ' ARG . 6.0 mt -71.29 -35.42 71.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.464 ' O ' ' CG ' ' A' ' 88' ' ' MET . 12.2 ttm -85.47 -9.35 57.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 85' ' ' ARG . 54.4 t -79.58 -58.31 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -86.21 -65.48 1.01 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.582 ' ND1' HG23 ' A' ' 61' ' ' VAL . 3.8 m-70 -79.99 61.54 3.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.642 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.414 HG23 ' HG3' ' A' ' 88' ' ' MET . 9.8 p -82.09 -24.03 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.56 -9.85 57.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.449 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -103.76 -56.08 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 95' ' ' VAL . 1.8 m -83.42 52.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' ' 97' ' ' GLN . 4.8 p -132.07 159.13 39.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.751 ' O ' HD13 ' A' ' 47' ' ' LEU . 69.0 mt-30 74.54 12.49 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.589 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.4 p-90 -163.4 -48.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 95' ' ' VAL . 28.8 tpp -37.54 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.061 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 98' ' ' TRP . 27.3 m -56.31 -49.39 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.4 -63.99 4.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.469 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 73.2 t -40.01 -53.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.8 tttm -42.0 -49.47 4.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 101' ' ' GLY . 15.4 tpp180 -66.78 -50.7 61.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.591 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -42.33 -56.13 3.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.521 HG12 HD12 ' A' ' 72' ' ' LEU . 23.5 mt -44.9 -58.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.03 -52.18 45.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -55.14 -61.82 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.616 ' HA ' HD12 ' A' ' 112' ' ' LEU . 12.4 mmmt -45.81 -48.24 15.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.518 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 60.9 tttt -55.44 -59.14 5.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.07 -52.73 8.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 109' ' ' LYS . 55.5 mt -44.67 -58.76 2.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.98 -56.83 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.041 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -58.41 109.82 2.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 97.89 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.792 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 73.7 m -152.62 141.61 21.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.5 m -148.07 96.34 2.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p -159.15 -52.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 110.016 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -172.39 -63.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.62 -146.12 17.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.12 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.47 93.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.3 p -107.13 135.15 49.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.05 99.61 2.53 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.447 ' O ' HG12 ' A' ' 8' ' ' VAL . 84.5 t -105.27 66.56 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mt 66.35 146.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -89.59 -63.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.6 p -174.33 85.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -162.1 122.77 2.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.532 HG21 ' HB2' ' A' ' 66' ' ' ALA . 43.4 m -151.08 130.96 13.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mt -103.89 155.13 18.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.575 HD12 ' CD1' ' A' ' 52' ' ' TRP . 16.0 tt -64.73 -38.17 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -78.42 -6.22 54.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.256 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.92 -33.74 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.84 HG21 ' CH2' ' A' ' 52' ' ' TRP . 40.9 t -88.82 -19.2 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -89.5 -41.23 12.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.471 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -37.69 -53.09 2.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.569 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.02 -54.74 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.76 HD13 ' CD2' ' A' ' 48' ' ' LEU . 9.2 mt -45.04 -32.12 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -82.16 -42.79 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 3.3 mm-40 -53.8 -43.3 69.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.833 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -61.55 -43.13 99.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.87 HD22 HD12 ' A' ' 45' ' ' LEU . 29.0 tp -50.83 -64.73 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -41.07 -40.88 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -54.81 37.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.9 m -60.88 -46.17 91.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 108.329 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.18 -41.7 8.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.579 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.21 44.9 1.38 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.499 ' HB3' HD21 ' A' ' 112' ' ' LEU . 25.4 m-70 -164.76 -67.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.75 . . . . 0.0 109.599 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.401 HG22 ' HB ' ' A' ' 37' ' ' VAL . 1.2 m -72.49 153.86 41.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.43 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HB2' HG23 ' A' ' 37' ' ' VAL . 22.4 mtpt -44.19 123.53 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -43.75 -48.95 8.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -49.59 -51.51 36.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.452 HG23 ' HB2' ' A' ' 34' ' ' LYS . 89.1 t -57.67 -53.18 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.9 t -48.15 -56.45 7.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 108.342 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -46.92 -44.37 19.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -64.61 -43.09 94.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.69 -56.91 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.834 ' HB3' HD21 ' A' ' 26' ' ' LEU . 1.8 p -49.76 -39.16 36.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -36.3 63.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.462 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 4.7 mmt180 -71.27 -49.11 46.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.87 HD12 HD22 ' A' ' 26' ' ' LEU . 10.7 mt -49.81 -55.2 15.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.08 -46.01 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 97' ' ' GLN . 3.9 tt -66.98 -55.68 13.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.76 ' CD2' HD13 ' A' ' 22' ' ' LEU . 2.6 tp -40.29 -55.06 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -57.3 -48.27 79.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 54' ' ' GLY . 2.3 mt-10 -54.41 -57.63 10.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.81 -38.49 82.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.84 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.1 t90 -64.49 -64.06 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -55.13 -59.78 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.36 -38.3 0.25 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.0 33.53 6.0 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -95.0 -33.96 12.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.9 mt -64.05 152.07 41.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.555 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -80.79 158.39 25.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.978 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.645 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 6.0 mm -65.5 -43.41 62.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -75.04 -2.61 12.76 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.524 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.7 t -90.28 -25.39 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.582 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 30.1 mttt -88.71 -42.51 11.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -34.94 75.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -44.81 27.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.452 ' CE ' HD11 ' A' ' 22' ' ' LEU . 18.9 mmm -51.2 -59.18 4.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.532 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -39.67 -40.72 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.0 mt -54.32 -64.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.832 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -49.6 -43.36 46.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.832 ' N ' HD23 ' A' ' 68' ' ' LEU . 49.9 t -59.26 -59.77 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -43.86 -42.31 5.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.461 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 9.1 mm-40 -64.27 -53.96 40.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.416 HD12 HG12 ' A' ' 106' ' ' ILE . 3.4 tt -48.23 -36.13 13.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.55 -48.24 73.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -75.74 -1.77 26.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.583 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.2 m170 79.05 10.19 1.64 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 109.595 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -76.55 55.22 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.564 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 0.9 OUTLIER -48.13 -53.29 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 107.998 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 77' ' ' TRP . 3.1 t0 -40.56 -42.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.461 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -71.96 -50.38 29.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.78 -52.85 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.53 -51.16 71.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -43.21 -61.66 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.472 HD13 ' N ' ' A' ' 68' ' ' LEU . 5.9 mt -58.45 -52.38 60.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.615 ' CE1' ' HG3' ' A' ' 88' ' ' MET . 3.3 t60 -42.43 -59.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.62 ' O ' HG23 ' A' ' 89' ' ' VAL . 21.6 mmt85 -48.42 -51.14 28.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.5 m -47.98 -43.08 29.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.98 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 91' ' ' HIS . 38.2 mt -70.34 -33.49 71.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.615 ' HG3' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -76.11 -9.06 58.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 85' ' ' ARG . 56.3 t -79.99 -55.27 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -95.62 -68.93 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.541 ' O ' HG13 ' A' ' 95' ' ' VAL . 8.7 m-70 -81.69 64.1 6.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.604 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.405 ' CG1' ' N ' ' A' ' 93' ' ' THR . 2.8 p -82.24 -45.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.405 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -70.09 -54.32 13.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -44.19 -53.62 6.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 91' ' ' HIS . 13.6 m -65.58 -34.21 68.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.418 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 2.2 p -49.85 167.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.434 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.0 tt0 79.99 0.02 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.536 ' HZ3' HG21 ' A' ' 102' ' ' VAL . 68.9 p-90 -166.15 -43.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.423 ' HE2' ' HB ' ' A' ' 95' ' ' VAL . 32.1 tpp -36.75 -32.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 101' ' ' GLY . 28.7 m -55.44 -51.53 56.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.491 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -52.02 -59.98 8.13 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.536 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 98.5 t -43.37 -54.89 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -42.89 -60.36 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -55.67 -51.77 66.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.833 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -43.19 -58.67 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.416 HG12 HD12 ' A' ' 72' ' ' LEU . 48.0 mt -41.34 -64.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.62 -53.9 5.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -52.18 -65.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.809 ' HA ' HD12 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -42.38 -48.85 5.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.564 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 1.6 ttpt -58.85 -62.45 1.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t -43.19 -49.44 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.039 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.809 HD12 ' HA ' ' A' ' 109' ' ' LYS . 13.1 mt -49.59 -62.14 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.7 t -47.63 -60.56 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.03 93.05 2.04 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.82 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 29.2 t -114.61 148.37 38.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.3 m -154.09 138.27 16.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 p 58.3 112.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 110.064 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 p -143.87 150.61 38.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.23 -163.6 25.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.1 157.9 42.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.08 -69.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.952 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.68 102.38 2.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.672 HG13 HG13 ' A' ' 9' ' ' ILE . 8.9 p -149.34 168.47 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.747 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.672 HG13 HG13 ' A' ' 8' ' ' VAL . 12.6 mt 71.34 -120.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.538 ' N ' HG22 ' A' ' 9' ' ' ILE . 4.9 mm-40 38.92 89.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.26 -49.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 63.57 125.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.428 HG21 ' HB2' ' A' ' 66' ' ' ALA . 2.0 m -104.3 140.3 38.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mt -99.38 147.63 25.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.346 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.471 HD12 ' CD1' ' A' ' 52' ' ' TRP . 15.3 tt -65.75 -40.07 86.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.21 -6.61 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.57 -25.52 15.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.945 HG21 ' CH2' ' A' ' 52' ' ' TRP . 88.9 t -96.11 -22.6 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.92 -22.42 19.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.513 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -59.41 -51.14 83.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.6 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.98 -43.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.661 HD12 ' O ' ' A' ' 18' ' ' VAL . 32.5 mt -51.28 -46.91 62.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -68.51 -41.07 80.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.468 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 8.3 mm-40 -54.18 -28.75 42.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.792 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -77.64 -44.85 26.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.857 HD21 ' HB3' ' A' ' 42' ' ' SER . 21.2 tp -57.61 -67.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -36.49 -37.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.96 -52.29 13.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.687 ' SG ' HD12 ' A' ' 26' ' ' LEU . 3.1 p -51.4 -33.13 28.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.332 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -39.99 -60.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.587 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.43 ' O ' ' CD2' ' A' ' 32' ' ' HIS . . . -89.76 49.1 3.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.622 ' CG ' HD21 ' A' ' 112' ' ' LEU . 22.7 m-70 -164.81 -71.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.613 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' CYS . 11.4 m -70.93 146.63 49.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.446 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.63 156.08 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -64.74 -60.02 3.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.413 ' N ' ' HD2' ' A' ' 35' ' ' LYS . 43.0 mt-30 -38.94 -45.69 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.537 HG12 HD12 ' A' ' 41' ' ' ILE . 98.6 t -67.35 -52.94 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.6 t -51.5 -54.8 23.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.317 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -52.75 -37.57 59.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -68.37 -59.49 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.674 HG21 HD12 ' A' ' 105' ' ' LEU . 32.6 mt -50.13 -59.34 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.235 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.857 ' HB3' HD21 ' A' ' 26' ' ' LEU . 48.4 p -45.16 -54.33 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -48.23 -41.14 26.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.262 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.402 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 64.2 mmt-85 -66.41 -30.05 70.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.552 HD12 HD22 ' A' ' 26' ' ' LEU . 22.5 mt -67.05 -57.0 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.13 -28.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.931 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.3 tt -79.41 -62.81 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.529 HD13 ' CH2' ' A' ' 98' ' ' TRP . 12.6 tp -42.21 -33.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -75.75 -44.07 43.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.5 pt-20 -67.05 -42.34 84.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.532 ' HG3' HD23 ' A' ' 47' ' ' LEU . 63.4 mt-30 -69.31 -39.42 78.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.945 ' CH2' HG21 ' A' ' 18' ' ' VAL . 1.8 t90 -64.76 -57.67 8.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.013 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -63.53 -58.97 5.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.27 -31.57 0.07 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 93.07 24.62 22.0 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -92.13 -6.4 50.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.745 HD12 ' CA ' ' A' ' 52' ' ' TRP . 88.5 mt -96.4 137.85 34.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.518 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -72.63 158.68 35.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.986 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 3.6 mt -61.96 -45.34 91.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -74.95 -3.27 13.67 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.432 HG22 ' CG ' ' A' ' 91' ' ' HIS . 2.6 t -90.72 -25.84 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.585 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 6.5 mttt -87.46 -41.58 13.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -37.2 83.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.6 ' HB3' HD11 ' A' ' 87' ' ' LEU . 2.0 mtt180 -73.69 -26.14 60.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.518 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -73.23 -54.78 7.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.428 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -49.45 -38.12 28.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 67' ' ' LEU . 25.6 mt -53.9 -65.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.932 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.61 -41.61 22.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.932 ' N ' HD23 ' A' ' 68' ' ' LEU . 50.6 t -61.7 -63.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.574 ' HA ' HD12 ' A' ' 73' ' ' LEU . 16.9 mm100 -38.7 -39.14 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.496 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 8.2 mm-40 -68.74 -52.55 29.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.479 HD21 ' HE2' ' A' ' 109' ' ' LYS . 1.3 tt -50.39 -27.53 6.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' A' ' 70' ' ' GLN . 57.1 mt -71.05 -48.7 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.463 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 10.1 m-70 -76.09 -1.86 28.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.625 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.495 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 3.1 m-70 85.57 -2.81 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.582 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -65.41 73.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.1 m95 -67.46 -38.96 85.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.038 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.23 -38.08 65.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.496 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -74.28 -50.32 19.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.99 -52.09 5.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -51.35 69.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -45.74 -54.1 8.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 64' ' ' ARG . 9.6 mt -65.61 -49.95 74.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.609 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -49.76 -37.98 32.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.554 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.589 ' O ' HG23 ' A' ' 89' ' ' VAL . 17.5 mmt85 -69.92 -53.35 18.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.4 m -48.5 -30.05 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.6 HD11 ' HB3' ' A' ' 64' ' ' ARG . 9.2 mt -77.56 -42.73 34.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -9.1 40.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 85' ' ' ARG . 71.6 t -76.91 -61.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -94.18 -69.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.606 ' O ' HG13 ' A' ' 95' ' ' VAL . 4.3 m-70 -76.57 60.34 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.635 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.8 p -79.16 -43.87 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.16 -52.85 14.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -45.46 -54.02 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 91' ' ' HIS . 13.3 m -64.65 -32.55 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 p -53.35 171.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.931 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.8 mt-30 75.58 1.59 3.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.604 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 69.6 p-90 -166.35 -44.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.027 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 33.8 tpp -37.97 -50.11 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.9 m -41.87 -43.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -62.27 -71.02 0.88 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 101' ' ' GLY . 81.9 t -40.13 -52.89 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -57.42 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -57.18 -49.57 75.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.792 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -41.35 -58.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.77 HD11 HD11 ' A' ' 68' ' ' LEU . 41.0 mt -41.26 -63.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.18 -55.82 3.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -51.1 -61.15 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.54 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 28.9 mmmt -44.59 -54.19 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -50.96 -49.87 59.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.42 -53.73 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.622 HD21 ' CG ' ' A' ' 32' ' ' HIS . 86.9 mt -43.81 -64.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.14 -62.23 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 75.35 75.88 0.8 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 153.61 42.2 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.536 1.808 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 76.6 p -55.05 125.54 20.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.7 m -62.38 159.9 14.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 0.0 110.954 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 p -74.6 170.12 16.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.949 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.64 -58.79 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.59 -171.98 24.42 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 m -139.64 150.73 45.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.13 152.67 32.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.04 124.47 1.37 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 p -171.43 154.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.8 mt 66.2 137.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -101.09 166.19 10.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.13 -59.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.981 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 62.15 108.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.636 HG21 ' HB2' ' A' ' 66' ' ' ALA . 3.4 m -119.28 136.02 54.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -84.08 139.95 32.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.577 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 13.9 tt -61.33 -41.24 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.495 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 2.5 mm-40 -67.02 -20.93 65.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.14 -29.5 48.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.961 HG21 ' CH2' ' A' ' 52' ' ' TRP . 37.2 t -91.21 -19.46 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -92.57 -30.14 15.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -48.74 -51.71 51.43 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.671 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.3 Cg_endo -75.01 -50.94 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.536 ' CD1' HD21 ' A' ' 48' ' ' LEU . 10.8 mt -46.51 -40.57 12.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -73.97 -44.57 54.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -51.5 -43.95 62.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.501 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -61.93 -50.09 73.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 42' ' ' SER . 18.4 tp -51.16 -57.52 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -39.97 -38.51 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.87 -48.97 32.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' THR . 61.4 m -58.83 -52.75 64.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.267 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -31.17 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.547 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.81 35.41 4.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -160.8 -63.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 0.742 . . . . 0.0 109.574 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.498 ' CG2' ' OE2' ' A' ' 108' ' ' GLU . 3.4 m -68.43 166.07 17.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.422 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' N ' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -51.5 171.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -44.36 12.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -69.98 -30.97 68.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.1 t -75.57 -40.73 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 9.0 t -65.93 -52.47 49.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 108.321 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -34.37 57.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -65.48 -47.75 75.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.8 mt -58.41 -56.99 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.784 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -47.93 -47.94 32.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -46.8 -40.29 13.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.466 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 4.3 mmt180 -70.07 -50.49 40.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.687 HD12 HD22 ' A' ' 26' ' ' LEU . 13.2 mt -49.05 -53.83 18.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.25 -46.27 4.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.426 HD21 ' HG3' ' A' ' 51' ' ' GLN . 3.6 tt -69.63 -55.97 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.536 HD21 ' CD1' ' A' ' 22' ' ' LEU . 2.8 tp -40.48 -52.42 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.584 ' HB2' HD11 ' A' ' 19' ' ' LEU . 10.8 ttt180 -61.95 -64.72 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -40.78 -50.76 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.426 ' HG3' HD21 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -62.04 -40.81 97.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.961 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.0 t90 -63.17 -62.18 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 108.041 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -54.53 -59.83 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -37.6 -36.38 0.27 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.25 25.98 10.59 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -85.37 -32.29 22.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 0.727 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 52' ' ' TRP . 46.6 mt -70.91 142.9 51.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.518 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -77.33 159.14 29.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.788 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 3.5 mt -60.21 -45.99 97.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.97 -6.12 17.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.718 ' CG2' ' CD2' ' A' ' 91' ' ' HIS . 6.4 t -89.38 -21.25 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.589 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -91.48 -43.49 9.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.788 ' NZ ' HG22 ' A' ' 59' ' ' ILE . 3.6 mtmt -54.89 -35.97 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.444 ' HB3' HD11 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -75.3 -35.63 61.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.49 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.61 -54.85 33.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.636 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -51.35 -37.88 50.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.4 mt -58.42 -67.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.828 HD12 ' O ' ' A' ' 80' ' ' ALA . 5.2 tt -42.36 -42.67 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.671 HG11 ' HG2' ' A' ' 21' ' ' PRO . 59.1 t -62.09 -51.37 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -49.03 -30.53 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.546 ' CD ' ' HB1' ' A' ' 79' ' ' ALA . 4.3 mm-40 -78.05 -41.42 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.568 HD21 ' HG3' ' A' ' 109' ' ' LYS . 0.8 OUTLIER -62.89 -21.39 65.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' A' ' 21' ' ' PRO . 96.9 mt -79.22 -37.29 38.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -87.17 -2.55 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.607 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.3 m170 79.94 11.38 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.63 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 22.9 mm-40 -79.73 52.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.505 ' CG ' ' HB2' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -43.66 -55.02 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 107.977 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.24 -53.19 5.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.546 ' HB1' ' CD ' ' A' ' 71' ' ' GLU . . . -59.29 -51.64 69.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.828 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -47.82 -46.61 31.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -55.88 29.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -40.03 -52.13 2.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.455 HD13 ' N ' ' A' ' 68' ' ' LEU . 18.2 mt -59.01 -60.44 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.613 ' CE1' ' HG3' ' A' ' 88' ' ' MET . 0.0 OUTLIER -40.17 -48.33 2.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.575 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 88' ' ' MET . 15.4 mmt180 -54.13 -54.26 41.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.1 m -48.39 -35.9 13.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.466 ' HB3' HG11 ' A' ' 95' ' ' VAL . 7.7 mt -72.2 -33.21 67.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.613 ' HG3' ' CE1' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -74.95 -7.95 55.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 79.3 t -79.63 -58.04 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -95.67 -70.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.718 ' CD2' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -79.37 63.72 4.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.591 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 88' ' ' MET . 2.1 p -86.05 -16.15 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 96' ' ' SER . 1.0 OUTLIER -95.52 -61.98 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.469 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -43.65 -52.84 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' ' 91' ' ' HIS . 15.7 m -62.2 -35.16 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.479 ' O ' ' CD1' ' A' ' 98' ' ' TRP . 1.1 p -51.66 178.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 96' ' ' SER . 0.9 OUTLIER 69.16 3.84 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.712 ' HZ3' HG21 ' A' ' 102' ' ' VAL . 68.9 p-90 -167.96 -42.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.01 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.483 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -35.83 -34.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 101' ' ' GLY . 18.4 m -57.25 -53.62 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.551 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -48.72 -55.78 10.73 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.712 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 61.3 t -46.18 -53.64 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -46.58 -46.23 19.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -65.74 -52.27 52.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.501 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -46.82 -51.86 15.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.518 HD11 HD11 ' A' ' 68' ' ' LEU . 76.3 mt -51.1 -63.96 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.37 -45.68 55.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.498 ' OE2' ' CG2' ' A' ' 33' ' ' THR . 2.5 mt-10 -55.94 -61.95 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.568 ' HG3' HD21 ' A' ' 72' ' ' LEU . 9.8 mmmt -45.24 -58.29 3.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.505 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 2.1 ttpm? -50.97 -51.7 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.6 -55.27 9.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.8 mt -42.28 -58.18 2.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.1 t -40.81 -64.57 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 124.96 96.56 1.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 173.28 14.78 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 37.7 p -121.38 135.74 55.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.8 t -156.7 153.68 28.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.0 93.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 110.065 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -164.06 169.72 17.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.91 119.22 1.5 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 t -155.97 131.82 9.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.974 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.3 m -99.14 139.64 34.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.026 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.04 -69.13 0.22 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.57 ' O ' HG12 ' A' ' 8' ' ' VAL . 63.2 t -92.15 67.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 tt -68.57 178.12 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 61.59 123.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 t 68.92 57.35 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -176.54 106.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.512 HG21 ' HB2' ' A' ' 66' ' ' ALA . 2.0 m -122.44 136.34 54.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.1 mt -99.97 148.59 24.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.357 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.561 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 16.5 tt -60.48 -46.26 95.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.497 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 39.3 mt-10 -67.39 -19.68 65.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.06 -29.43 43.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.971 HG21 ' CH2' ' A' ' 52' ' ' TRP . 43.7 t -93.39 -18.61 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -92.75 -28.41 16.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.505 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -51.3 -51.28 70.15 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.762 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.4 Cg_endo -75.0 -50.04 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.546 1.814 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.727 HD13 ' CD2' ' A' ' 48' ' ' LEU . 10.5 mt -47.7 -42.03 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.21 -42.72 59.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -53.28 -42.95 67.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.628 ' HB1' ' HD3' ' A' ' 109' ' ' LYS . . . -62.1 -53.85 49.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.86 HD21 ' HB3' ' A' ' 42' ' ' SER . 29.9 tp -41.9 -53.91 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -43.08 -44.18 4.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -63.8 -53.35 52.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' THR . 88.9 m -55.97 -43.87 77.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 108.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.17 -62.36 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.635 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -91.3 49.2 2.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -163.37 -70.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 109.616 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' CYS . 2.5 m -71.02 155.78 40.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm -46.6 164.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -71.93 -57.9 3.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.51 -59.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.7 t -48.5 -57.98 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.0 t -50.14 -52.76 32.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.42 -40.81 60.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -68.49 -62.19 1.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.4 mt -41.86 -51.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.86 ' HB3' HD21 ' A' ' 26' ' ' LEU . 48.1 p -60.01 -46.53 89.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.7 -36.64 25.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.467 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 4.2 mmt180 -70.91 -46.38 62.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.523 HD12 HD22 ' A' ' 26' ' ' LEU . 15.3 mt -47.24 -54.75 10.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.03 -24.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.81 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.4 tt -85.73 -60.47 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.727 ' CD2' HD13 ' A' ' 22' ' ' LEU . 11.0 tp -43.54 -34.74 1.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 -73.75 -41.03 63.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.8 pt-20 -68.29 -41.17 81.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.417 ' N ' ' CG ' ' A' ' 50' ' ' GLU . 49.7 mt-30 -71.32 -38.68 71.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.971 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.2 t-105 -66.19 -57.91 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 108.029 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -64.84 -58.26 6.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.66 -32.27 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 91.97 21.01 34.52 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -9.69 53.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.4 mt -89.07 153.43 20.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.631 ' OG ' HG23 ' A' ' 61' ' ' VAL . 13.5 p -90.33 156.74 18.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.0 mt -58.95 -45.66 99.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.99 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.631 HG23 ' OG ' ' A' ' 58' ' ' SER . 1.9 t -90.92 -25.81 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.602 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 5.2 mttt -87.71 -40.21 14.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -38.5 91.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -74.75 -27.35 60.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.515 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -70.6 -55.08 9.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.957 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.512 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -51.09 -39.2 55.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.423 ' HB3' HD13 ' A' ' 83' ' ' ILE . 30.1 mt -52.85 -65.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.014 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.09 -41.36 17.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.014 ' N ' HD23 ' A' ' 68' ' ' LEU . 50.9 t -62.17 -63.97 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 69' ' ' VAL . 85.3 mm-40 -38.17 -40.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.348 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 8.2 mm-40 -67.2 -53.04 34.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tt -52.11 -31.3 30.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.762 HD21 ' HB3' ' A' ' 21' ' ' PRO . 77.5 mt -65.55 -47.8 74.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.512 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 6.8 m170 -76.64 -1.77 29.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.589 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.516 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 3.2 m170 89.0 -7.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -61.64 83.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.516 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -77.82 -31.03 51.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -35.74 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -77.38 -49.27 15.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.84 -52.64 6.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.28 -52.87 62.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -42.9 -49.3 5.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.423 HD13 ' HB3' ' A' ' 67' ' ' LEU . 16.6 mt -70.55 -54.91 16.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.616 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -43.72 -42.48 5.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.581 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.739 ' O ' HG23 ' A' ' 89' ' ' VAL . 7.2 mmt180 -65.74 -46.37 79.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.1 m -55.06 -28.31 51.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.443 ' HB3' HG11 ' A' ' 95' ' ' VAL . 9.5 mt -78.27 -42.72 30.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.459 ' SD ' HG21 ' A' ' 95' ' ' VAL . 98.6 mmm -68.07 -8.34 37.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 85' ' ' ARG . 68.8 t -79.13 -60.14 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -95.75 -69.61 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.517 ' ND1' HG23 ' A' ' 61' ' ' VAL . 6.5 m-70 -77.8 64.65 3.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.599 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.418 HG23 ' HA ' ' A' ' 88' ' ' MET . 2.0 p -91.72 -30.71 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -83.9 -19.22 35.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -81.95 -61.59 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.536 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 24.0 m -55.24 -40.27 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 66.5 p -45.79 163.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.81 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.9 tt0 84.62 -0.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.583 ' CH2' HD13 ' A' ' 48' ' ' LEU . 69.0 p-90 -165.51 -44.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 108.062 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' TRP . 29.8 tpp -36.35 -36.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.467 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 27.5 m -48.95 -50.16 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -59.2 -61.79 6.92 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.422 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 75.5 t -48.97 -52.12 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 0.743 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.23 -54.74 4.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -60.01 -47.93 83.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.516 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -40.88 -57.93 1.83 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 65.3 mt -41.12 -66.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.66 -54.16 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -53.08 -64.06 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.628 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 4.9 mmmt -42.66 -59.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.421 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 11.4 tttm -52.79 -47.76 67.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.81 -51.28 40.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.8 mt -50.47 -63.47 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.61 -40.32 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.08 88.16 0.15 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -57.06 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -120.05 137.9 53.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.91 110.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.1 m -91.02 -60.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 p 54.78 170.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.22 138.81 18.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.68 61.46 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.6 m -111.96 -63.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.41 -165.13 12.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -165.63 147.92 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.7 mt 52.74 82.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -169.33 120.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.2 m 48.5 91.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.024 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.54 -178.93 4.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.252 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -135.63 144.01 45.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.408 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -105.34 141.88 36.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.41 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 8.7 tt -59.96 -39.15 79.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.37 -9.21 39.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.93 -22.76 15.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.951 HG21 ' CH2' ' A' ' 52' ' ' TRP . 57.5 t -96.16 -22.21 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.55 -36.41 13.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 2.2 mmt180 -44.41 -51.22 20.74 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.87 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.0 -52.32 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.72 HD13 ' CD2' ' A' ' 48' ' ' LEU . 13.6 mt -48.13 -38.97 19.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.06 -40.69 64.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 6.4 mm-40 -53.69 -25.4 18.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.932 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -76.9 -51.96 10.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 42' ' ' SER . 27.0 tp -43.64 -66.74 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.84 -48.64 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -43.01 73.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LEU . 59.9 m -65.74 -44.52 85.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -20.91 7.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.637 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.18 22.3 25.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.436 ' CG ' HD22 ' A' ' 112' ' ' LEU . 44.2 m-70 -156.96 -70.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 109.643 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 1.121 HG22 HG11 ' A' ' 37' ' ' VAL . 6.6 m -58.09 156.01 10.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HB2' HG12 ' A' ' 37' ' ' VAL . 1.7 mmpt? -55.47 -166.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -92.37 -66.71 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -42.38 -42.46 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.121 HG11 HG22 ' A' ' 33' ' ' THR . 5.6 p -58.17 -57.37 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.549 ' H ' HG13 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -56.63 -53.36 58.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 108.269 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -45.29 -31.04 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.66 -64.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.956 HG21 HD12 ' A' ' 105' ' ' LEU . 39.2 mt -45.81 -59.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.585 ' HB3' HD21 ' A' ' 26' ' ' LEU . 35.0 p -46.38 -48.91 18.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -35.39 61.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.464 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 19.1 mmt180 -74.78 -33.53 62.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.486 HD12 HD22 ' A' ' 26' ' ' LEU . 9.1 mt -62.91 -58.1 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.03 -41.71 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.009 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.3 tt -69.09 -54.14 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.735 HD13 ' CH2' ' A' ' 98' ' ' TRP . 7.2 tp -40.6 -44.85 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -67.99 -49.14 63.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 54' ' ' GLY . 38.3 mt-10 -55.6 -50.21 70.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -66.07 -37.69 86.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.951 ' CH2' HG21 ' A' ' 18' ' ' VAL . 1.8 t-105 -65.61 -63.59 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -58.14 -56.33 23.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -35.99 -37.71 0.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.75 4.39 48.85 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' O ' ' CD ' ' A' ' 94' ' ' GLU . 2.0 mmmt -66.23 -23.28 66.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' A' ' 52' ' ' TRP . 81.0 mt -82.62 145.96 29.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.636 ' OG ' HG23 ' A' ' 61' ' ' VAL . 15.3 p -81.04 157.45 25.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.613 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.3 mt -59.4 -45.56 98.97 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.04 -3.46 13.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.657 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.0 t -90.99 -26.56 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.595 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 4.5 mttt -86.54 -41.47 14.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -35.97 80.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.431 ' O ' HG21 ' A' ' 83' ' ' ILE . 2.1 mtt180 -72.8 -43.62 62.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.608 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -53.98 -58.61 6.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.28 -37.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.508 ' HB2' HG21 ' A' ' 83' ' ' ILE . 9.6 mt -58.04 -62.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.836 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -48.67 -39.74 25.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.836 ' N ' HD23 ' A' ' 68' ' ' LEU . 42.4 t -62.49 -64.34 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.417 ' HA ' HD12 ' A' ' 73' ' ' LEU . 33.9 mm-40 -37.98 -39.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.433 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 8.7 mm-40 -69.95 -52.72 22.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tt -52.54 -23.79 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.87 HD21 ' HB3' ' A' ' 21' ' ' PRO . 89.4 mt -73.86 -47.84 35.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 13.2 m170 -77.08 -2.04 32.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.6 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 74' ' ' HIS . 1.9 m-70 88.62 -5.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.26 80.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.51 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.1 m95 -74.87 -32.73 61.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 108.01 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -60.71 -37.28 81.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.433 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -74.22 -49.84 21.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.409 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -47.73 -49.77 27.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.92 -38.97 80.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -57.83 -60.61 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.508 HG21 ' HB2' ' A' ' 67' ' ' LEU . 5.1 mt -59.92 -37.47 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.482 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -59.65 -42.34 92.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.602 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.988 ' O ' HG23 ' A' ' 89' ' ' VAL . 22.9 mmt180 -60.35 -53.14 61.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -53.29 -45.39 68.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 110.031 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 mt -64.34 -37.45 87.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.519 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -80.32 -8.85 59.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 85' ' ' ARG . 78.6 t -87.01 -43.36 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -95.4 -69.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.657 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 1.0 OUTLIER -90.25 66.16 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 88' ' ' MET . 1.5 p -78.83 -18.68 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.433 ' O ' ' CB ' ' A' ' 96' ' ' SER . 40.2 p -89.44 -60.29 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 56' ' ' LYS . 5.9 mm-40 -43.55 -55.25 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.603 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 14.6 m -60.21 -32.72 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.463 ' O ' ' CD1' ' A' ' 98' ' ' TRP . 1.4 p -54.01 172.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 1.009 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.3 mt-30 73.31 7.59 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.735 ' CH2' HD13 ' A' ' 48' ' ' LEU . 64.7 p-90 -171.74 -42.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.507 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -36.51 -48.96 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.971 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.464 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 29.0 m -40.0 -46.28 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -59.42 -64.88 3.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.715 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 88.5 t -40.65 -54.19 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.659 ' HA ' HD12 ' A' ' 106' ' ' ILE . 25.6 tttm -44.67 -51.3 9.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -64.15 -55.15 23.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.956 HD12 HG21 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -42.59 -49.84 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 103' ' ' LYS . 44.0 mt -46.33 -67.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.25 -47.91 46.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.701 ' OE2' HD11 ' A' ' 41' ' ' ILE . 23.7 mt-10 -51.48 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.501 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 22.4 mmmt -40.94 -54.04 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.491 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 74.9 tttt -51.52 -49.08 62.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.94 -49.27 15.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.436 HD22 ' CG ' ' A' ' 32' ' ' HIS . 35.1 mt -52.08 -46.73 65.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.7 -147.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.48 77.2 1.2 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 167.5 26.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.478 1.778 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.8 t -140.57 -69.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.21 162.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.055 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -173.78 147.81 1.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.19 149.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.12 124.52 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.564 1.165 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 m -159.81 143.33 14.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.951 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -95.16 171.09 8.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.39 132.0 2.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 p -162.6 104.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.3 mm -110.48 139.3 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -110.88 114.18 27.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -177.8 97.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -58.3 122.55 13.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.256 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.725 HG21 ' HB2' ' A' ' 66' ' ' ALA . 2.0 m -124.89 141.16 52.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.456 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mt -107.39 149.0 28.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.573 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 16.5 tt -56.57 -48.85 79.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 47.1 mt-10 -65.46 -10.13 31.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.23 -23.08 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.969 HG21 ' CH2' ' A' ' 52' ' ' TRP . 99.8 t -96.03 -22.63 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.02 -34.1 13.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.541 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 1.1 mmt85 -45.45 -49.14 34.88 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.728 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.2 Cg_endo -75.02 -59.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.502 HD11 ' CE ' ' A' ' 65' ' ' MET . 21.2 mt -45.17 -33.96 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -68.01 -55.2 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.489 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -46.6 -24.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.598 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -74.55 -58.12 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.718 HD11 ' HB3' ' A' ' 42' ' ' SER . 33.2 tp -42.3 -65.91 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' OE2' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -46.29 -42.85 15.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.453 ' N ' ' OE2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -64.03 -37.77 88.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.7 m -69.74 -48.86 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.306 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -48.72 -35.15 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.543 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.43 36.23 4.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -167.29 -76.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.603 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -60.9 153.58 24.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -48.51 172.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.62 -61.6 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -41.79 -39.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.03 -56.55 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -52.36 -51.01 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.352 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -49.08 -42.8 40.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.32 -63.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.709 HG21 HD12 ' A' ' 105' ' ' LEU . 14.8 mt -41.95 -65.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.718 ' HB3' HD11 ' A' ' 26' ' ' LEU . 78.8 p -43.74 -55.59 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -35.81 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 20.6 mmt-85 -74.39 -49.94 20.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.417 HD12 HD22 ' A' ' 26' ' ' LEU . 19.2 mt -48.46 -51.08 28.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.34 -30.71 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 97' ' ' GLN . 4.4 tt -79.24 -61.63 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.585 HD13 ' CZ2' ' A' ' 98' ' ' TRP . 14.6 tp -40.92 -35.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -74.28 -45.41 47.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.6 pt-20 -64.33 -39.75 94.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.483 ' HG3' HD23 ' A' ' 47' ' ' LEU . 16.5 mt-30 -71.63 -36.95 70.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.969 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.1 t90 -67.12 -56.05 11.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -66.52 -57.25 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.08 -33.65 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 93.86 28.87 10.44 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -96.46 -12.24 24.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 0.733 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 52' ' ' TRP . 94.6 mt -88.58 144.56 26.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.533 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -83.76 152.36 24.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.973 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.9 mt -56.77 -45.24 99.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.02 -5.07 16.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.484 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 1.0 OUTLIER -91.11 -17.97 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.612 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -93.93 -50.55 5.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -28.77 52.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.506 ' O ' HG21 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -81.86 -37.27 27.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.502 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -61.76 -60.54 3.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.725 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -38.8 -35.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.605 ' HB2' HG21 ' A' ' 83' ' ' ILE . 10.0 mt -53.22 -63.24 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.852 HD12 ' O ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -49.81 -42.07 46.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.546 HG11 ' HG2' ' A' ' 21' ' ' PRO . 41.4 t -60.82 -63.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.6 ' HA ' HD12 ' A' ' 73' ' ' LEU . 67.5 mm-40 -37.73 -37.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.467 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 7.9 mm-40 -71.44 -51.23 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 69' ' ' VAL . 2.0 tt -52.48 -21.39 3.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.728 HD21 ' HB3' ' A' ' 21' ' ' PRO . 76.5 mt -76.47 -47.8 21.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.491 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 7.8 m170 -78.0 -1.95 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.535 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.7 m170 86.44 -2.17 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.598 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -65.69 72.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.535 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -67.86 -37.21 81.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 108.012 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.27 -32.15 64.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.467 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -80.75 -49.21 11.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.852 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -42.57 -49.3 5.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -64.84 -42.43 94.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.29 -58.21 5.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.605 HG21 ' HB2' ' A' ' 67' ' ' LEU . 4.1 mt -63.31 -50.26 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -44.8 -50.54 10.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.604 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.605 ' O ' HG23 ' A' ' 89' ' ' VAL . 23.7 mmt180 -55.29 -63.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.8 m -46.53 -36.54 6.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' A' ' 64' ' ' ARG . 3.5 mt -71.96 -35.73 69.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.804 ' HG3' HG23 ' A' ' 92' ' ' VAL . 11.5 ttm -81.16 -9.25 59.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 85' ' ' ARG . 55.2 t -76.69 -53.52 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -95.38 -68.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.486 ' O ' HG22 ' A' ' 95' ' ' VAL . 33.0 m-70 -75.58 62.2 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.573 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.804 HG23 ' HG3' ' A' ' 88' ' ' MET . 2.7 p -88.37 -25.99 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -87.06 -9.65 54.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.401 ' OE1' ' OG ' ' A' ' 58' ' ' SER . 8.5 mt-10 -97.61 -61.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.356 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 11.6 m -55.93 -43.59 75.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 28.9 p -46.04 160.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.62 ' O ' HD13 ' A' ' 47' ' ' LEU . 4.6 tt0 86.53 0.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.633 ' HZ3' HG21 ' A' ' 102' ' ' VAL . 69.4 p-90 -166.15 -43.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -34.84 -42.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.461 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 24.9 m -44.22 -50.25 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -54.91 -58.53 13.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.633 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 92.7 t -47.92 -53.35 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -42.02 -49.13 4.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -70.41 -50.48 38.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.709 HD12 HG21 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -40.77 -52.53 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.682 HD11 HD11 ' A' ' 68' ' ' LEU . 34.1 mt -46.13 -70.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -44.94 -50.11 10.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.686 ' OE2' HD11 ' A' ' 41' ' ' ILE . 50.3 mt-10 -51.93 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.254 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.454 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 8.7 mmmt -46.43 -47.54 19.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.508 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 15.9 tttp -51.37 -46.96 62.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.48 -63.16 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -40.56 -53.21 2.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.9 t -39.73 -62.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.0 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -174.23 -96.23 0.1 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 157.47 42.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.3 t -123.57 155.11 38.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 53.7 p -52.57 110.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.992 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -155.07 153.54 31.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 0.0 109.985 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -60.17 166.67 2.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.41 -158.99 24.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.557 1.16 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -159.43 145.61 16.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -103.16 -54.9 2.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.983 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.97 172.23 47.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 p -163.69 138.02 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.792 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.7 mt -136.59 130.96 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -145.7 120.05 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.4 t -131.09 -91.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -114.06 107.36 15.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.458 HG21 ' HB2' ' A' ' 66' ' ' ALA . 2.8 m -95.13 137.83 33.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.385 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mt -104.22 157.74 16.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.566 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 20.5 tt -60.71 -57.48 11.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.524 ' N ' HG23 ' A' ' 15' ' ' ILE . 33.3 mt-10 -60.14 -14.64 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.29 -36.36 34.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.855 HG21 ' CH2' ' A' ' 52' ' ' TRP . 59.3 t -89.21 -15.1 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 15' ' ' ILE . 0.6 OUTLIER -91.06 -43.23 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.486 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -39.33 -52.18 4.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.937 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.1 Cg_endo -75.06 -57.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.612 HD13 ' CD2' ' A' ' 48' ' ' LEU . 9.7 mt -44.24 -33.86 1.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -78.68 -40.77 32.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.496 ' CG ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -49.41 -23.56 1.56 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 110.249 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.699 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -78.19 -54.8 5.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.81 HD21 ' HB3' ' A' ' 42' ' ' SER . 14.9 tp -44.49 -58.06 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -48.98 -49.6 39.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -35.31 75.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' THR . 51.5 m -75.25 -27.67 59.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.286 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -67.66 -10.23 50.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.593 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 32' ' ' HIS . . . -127.16 29.92 4.22 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 31' ' ' GLY . 63.6 m-70 -162.22 -44.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 109.572 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 1.016 HG22 HG11 ' A' ' 37' ' ' VAL . 25.3 m -86.74 148.47 25.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.352 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HB2' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -51.62 -178.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -83.08 -65.35 1.02 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' LYS . 6.5 mp0 -37.85 -52.63 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.016 HG11 HG22 ' A' ' 33' ' ' THR . 2.4 p -47.08 -62.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.757 ' SG ' HD11 ' A' ' 26' ' ' LEU . 48.7 t -43.58 -63.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 38' ' ' CYS . 8.0 t70 -39.97 -35.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 37' ' ' VAL . 7.6 t70 -73.35 -65.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.8 mt -47.77 -60.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.81 ' HB3' HD21 ' A' ' 26' ' ' LEU . 53.9 p -46.88 -55.51 7.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.15 -37.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 22.6 mmt-85 -72.25 -48.73 40.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.54 HD12 HD22 ' A' ' 26' ' ' LEU . 13.5 mt -50.98 -53.32 34.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.28 -40.42 2.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.606 HD11 ' OE1' ' A' ' 97' ' ' GLN . 3.8 tt -73.68 -50.93 18.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.612 ' CD2' HD13 ' A' ' 22' ' ' LEU . 13.7 tp -42.1 -53.35 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -61.47 -50.81 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -53.04 -47.74 68.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.458 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 1.2 mt-30 -65.83 -37.72 86.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.855 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.3 t-105 -65.48 -62.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -59.12 -58.81 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.49 -35.76 0.13 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.45 29.08 9.73 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.46 -15.81 23.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.8 mt -83.18 151.3 25.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.648 ' OG ' HG23 ' A' ' 61' ' ' VAL . 10.9 p -87.23 156.92 19.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.0 mt -60.46 -45.15 97.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.01 -3.21 13.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.648 HG23 ' OG ' ' A' ' 58' ' ' SER . 2.0 t -91.36 -22.98 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.607 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 7.8 mttt -91.6 -41.97 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' NZ ' ' HB ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -62.68 -34.63 77.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.5 ' O ' HG21 ' A' ' 83' ' ' ILE . 2.7 mtt85 -75.11 -42.66 56.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.573 ' CE ' HD11 ' A' ' 22' ' ' LEU . 22.0 mmm -55.51 -60.38 3.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.458 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -38.71 -36.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.529 ' HB2' HG21 ' A' ' 83' ' ' ILE . 7.4 mt -57.8 -62.5 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -51.52 -40.02 58.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.629 HG21 HG13 ' A' ' 18' ' ' VAL . 38.2 t -61.02 -63.58 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.516 ' HA ' HD12 ' A' ' 73' ' ' LEU . 80.0 mm-40 -40.17 -42.44 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -65.77 -54.74 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.467 HD21 ' HE2' ' A' ' 109' ' ' LYS . 2.0 tt -50.93 -31.27 17.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.937 HD21 ' HB3' ' A' ' 21' ' ' PRO . 91.1 mt -66.78 -43.79 83.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 6.3 m170 -82.37 -1.81 51.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.61 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.484 ' CB ' ' O ' ' A' ' 74' ' ' HIS . 2.6 m170 85.94 -1.07 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.624 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -66.13 71.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.443 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 1.5 m95 -63.56 -48.78 76.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 107.972 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -45.26 -43.24 10.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.97 -50.54 33.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.606 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -44.56 -49.97 9.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.2 -42.16 99.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.5 -57.31 8.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.529 HG21 ' HB2' ' A' ' 67' ' ' LEU . 4.4 mt -63.98 -48.44 86.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.43 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -48.15 -39.18 19.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.562 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.544 ' O ' HG23 ' A' ' 89' ' ' VAL . 34.0 mmt180 -66.61 -55.13 16.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.8 m -47.22 -34.32 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 91' ' ' HIS . 6.1 mt -74.42 -42.88 58.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -8.5 25.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 85' ' ' ARG . 56.6 t -80.18 -62.86 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.6 -70.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.452 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 15.3 m-70 -77.26 61.22 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 93' ' ' THR . 5.9 p -84.3 -51.76 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.51 ' N ' HG13 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -65.53 -35.65 81.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -59.89 -46.63 88.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.602 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 19.3 m -79.24 -25.19 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 97' ' ' GLN . 10.8 p -54.53 174.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.024 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.606 ' OE1' HD11 ' A' ' 47' ' ' LEU . 0.1 OUTLIER 73.04 1.2 3.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.602 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.8 p-90 -165.69 -43.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 107.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.407 ' O ' ' SD ' ' A' ' 99' ' ' MET . 25.1 tpp -37.4 -33.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 27.1 m -53.29 -47.49 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.64 -62.71 6.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.592 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 74.2 t -40.79 -48.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -48.93 -49.79 38.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 101' ' ' GLY . 18.8 tpp180 -66.92 -47.29 72.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.699 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -45.96 -50.88 14.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.1 mt -49.26 -63.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.12 -63.26 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -47.1 -59.84 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.671 ' HA ' HD12 ' A' ' 112' ' ' LEU . 26.9 mmmt -45.03 -58.81 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.443 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 3.2 tttt -50.65 -49.03 58.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -51.4 64.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 109' ' ' LYS . 47.0 mt -43.58 -63.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.6 -44.12 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.034 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 61.38 78.18 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 114.07 3.94 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.449 1.763 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.47 97.01 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.41 125.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mt -136.06 148.34 48.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.4 tt -56.83 -44.23 81.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.97 -7.71 48.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.33 -32.08 15.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.879 HG21 ' CH2' ' A' ' 52' ' ' TRP . 40.6 t -92.9 -18.64 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -91.07 -39.27 12.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.492 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -40.41 -51.89 6.21 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.731 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.03 -58.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 48' ' ' LEU . 12.4 mt -44.58 -33.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' LEU . 24.6 mt-10 -82.02 -43.24 18.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -55.65 -27.28 48.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.507 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -73.3 -55.72 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.499 HD22 HD12 ' A' ' 45' ' ' LEU . 29.7 tp -40.25 -66.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -39.68 -43.31 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -49.81 76.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' LEU . 67.3 m -64.66 -45.66 85.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 108.324 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -43.95 -36.0 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 32' ' ' HIS . . . -104.06 43.2 1.72 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.44 ' CG ' ' O ' ' A' ' 31' ' ' GLY . 21.9 m-70 -168.8 -67.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.59 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.9 m -69.52 157.69 36.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.11 154.86 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -24.95 61.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -77.31 -49.98 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.0 t -63.26 -42.8 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.5 t -66.62 -42.1 87.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 108.292 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -57.76 -41.61 82.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -59.28 -55.6 32.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.3 mt -50.89 -62.03 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.477 ' OG ' HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -40.73 -59.11 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.58 -43.56 5.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 40.8 mmt-85 -64.42 -40.91 96.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.499 HD12 HD22 ' A' ' 26' ' ' LEU . 12.8 mt -55.0 -56.09 23.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.04 -43.0 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.939 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.2 tt -66.3 -55.69 14.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.564 ' CD2' HD13 ' A' ' 22' ' ' LEU . 17.7 tp -41.56 -55.65 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -57.23 -53.95 52.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' GLY . 46.3 mm-40 -52.55 -53.14 50.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -63.71 -36.34 83.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.879 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.1 t90 -66.52 -64.15 0.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 108.026 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -56.81 -57.68 11.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.95 -43.93 0.92 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.44 19.98 10.02 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.59 -10.84 58.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 52' ' ' TRP . 54.4 mt -94.56 150.96 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.544 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -84.84 159.23 20.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.017 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.6 mt -62.3 -44.8 89.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.06 -5.17 16.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.54 ' CG2' ' ND1' ' A' ' 91' ' ' HIS . 2.2 t -90.69 -17.7 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.6 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -94.06 -50.41 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -29.96 59.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.449 ' O ' HG21 ' A' ' 83' ' ' ILE . 2.0 mtt180 -75.62 -42.26 52.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.532 ' CE ' HD11 ' A' ' 22' ' ' LEU . 20.0 mmm -57.81 -57.08 14.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.47 -41.95 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.846 ' HB2' HG21 ' A' ' 83' ' ' ILE . 9.6 mt -51.17 -65.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.809 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -48.44 -42.31 31.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.809 ' N ' HD23 ' A' ' 68' ' ' LEU . 54.2 t -60.49 -63.59 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.46 ' HA ' HD12 ' A' ' 73' ' ' LEU . 48.3 mm-40 -39.46 -41.33 0.96 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.424 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 9.6 mm-40 -66.64 -54.22 25.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tt -50.02 -29.01 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.731 HD21 ' HB3' ' A' ' 21' ' ' PRO . 93.6 mt -70.17 -47.08 63.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.465 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 1.5 m170 -78.15 -1.95 35.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.581 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.495 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 4.3 m170 84.71 0.13 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 0.0 109.602 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -67.66 67.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.1 m95 -60.53 -44.57 95.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 107.992 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.79 -40.33 28.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 82' ' ' ASP . . . -73.09 -50.28 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.68 -54.11 3.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -60.0 -38.97 84.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 79' ' ' ALA . 4.1 t0 -54.4 -64.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.846 HG21 ' HB2' ' A' ' 67' ' ' LEU . 4.5 mt -57.64 -40.27 74.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.548 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -58.02 -38.13 75.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.675 ' O ' HG23 ' A' ' 89' ' ' VAL . 20.9 mmt85 -66.71 -50.5 62.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.2 p -52.06 -35.67 48.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.446 ' CD2' ' HB2' ' A' ' 91' ' ' HIS . 5.2 mt -73.39 -40.02 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -8.91 49.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 85' ' ' ARG . 71.4 t -79.34 -60.54 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -95.69 -69.29 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.54 ' ND1' ' CG2' ' A' ' 61' ' ' VAL . 25.1 m-70 -77.63 62.4 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.612 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.65 -44.73 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.62 -47.74 58.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.387 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.442 ' CD ' HG21 ' A' ' 61' ' ' VAL . 15.7 mt-10 -47.58 -56.39 7.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.593 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 17.3 m -63.55 -34.01 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 p -51.57 172.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.939 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.7 mt-30 73.47 3.58 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.593 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.4 p-90 -168.73 -43.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.42 ' CE ' ' HB ' ' A' ' 95' ' ' VAL . 31.8 tpp -36.78 -51.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.459 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 30.4 m -39.62 -45.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.19 -53.43 44.79 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.511 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 75.2 t -57.09 -53.06 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -40.14 -41.99 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 0.3 OUTLIER -73.55 -50.42 21.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.507 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -43.18 -57.69 2.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.526 HD11 HD11 ' A' ' 68' ' ' LEU . 23.1 mt -41.04 -68.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.07 -54.09 4.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -51.19 -68.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.339 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.479 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 2.0 mmmt -43.32 -47.57 6.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -54.93 -58.23 8.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.58 -54.87 7.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.411 HD21 ' CG ' ' A' ' 32' ' ' HIS . 1.2 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.0 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.8 mt -114.13 150.25 34.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.401 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 17.8 tt -59.08 -42.01 85.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.94 -6.9 48.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.6 -29.2 15.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.931 HG21 ' CH2' ' A' ' 52' ' ' TRP . 44.8 t -93.7 -20.5 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.57 -34.58 13.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.509 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 1.6 mmt180 -44.74 -50.97 23.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.938 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.01 -52.33 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.572 HD13 ' CD2' ' A' ' 48' ' ' LEU . 11.7 mt -45.9 -38.29 7.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -71.11 -49.62 42.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -46.45 -44.12 17.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.488 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -64.28 -47.49 79.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.977 HD22 HD12 ' A' ' 45' ' ' LEU . 29.1 tp -50.02 -69.02 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -47.56 -48.97 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.87 -27.17 66.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' ALA . 1.3 m -81.32 -42.78 20.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -45.16 -42.69 9.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.65 -44.8 56.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.637 ' CD2' ' CD2' ' A' ' 112' ' ' LEU . 65.0 m-70 -87.49 -86.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' CYS . 6.1 m -39.95 140.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.355 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.76 172.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -80.93 -54.26 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -48.62 -41.92 32.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.8 t -67.14 -57.14 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.44 -52.64 44.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 108.264 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -48.2 -39.97 22.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.85 -52.41 37.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.9 mt -55.28 -58.98 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.911 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -48.71 -40.83 29.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.051 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -35.43 66.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.474 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 18.4 mmt-85 -73.33 -47.57 41.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.977 HD12 HD22 ' A' ' 26' ' ' LEU . 14.9 mt -46.54 -52.15 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.57 -45.3 6.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 97' ' ' GLN . 2.9 tt -69.2 -50.21 49.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.674 HD13 ' CH2' ' A' ' 98' ' ' TRP . 10.0 tp -47.99 -49.85 29.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 52' ' ' TRP . 6.5 ttp180 -62.65 -63.17 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -40.27 -55.54 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -58.25 -37.13 74.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.931 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.3 t-105 -65.01 -64.6 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 107.994 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -54.17 -59.85 4.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -37.95 -31.72 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 89.54 29.93 15.05 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -90.48 -21.34 21.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 52' ' ' TRP . 75.2 mt -77.84 146.4 35.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.533 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -79.54 154.49 28.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 3.8 mt -59.07 -45.01 99.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -75.05 -4.3 15.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.645 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.2 t -90.93 -28.04 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.589 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 6.8 mttt -84.52 -40.12 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -38.16 87.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.503 ' O ' HG21 ' A' ' 83' ' ' ILE . 7.8 mtt-85 -70.22 -36.78 74.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.48 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.58 -57.69 9.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.983 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.76 -40.3 0.92 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.404 ' HB2' HG21 ' A' ' 83' ' ' ILE . 5.7 mt -53.37 -64.59 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.656 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -48.63 -43.59 36.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.656 ' N ' HD23 ' A' ' 68' ' ' LEU . 44.0 t -58.94 -61.24 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.64 ' HA ' HD12 ' A' ' 73' ' ' LEU . 46.2 mm-40 -41.8 -40.36 2.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.465 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 8.3 mm-40 -67.26 -53.1 33.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.53 HD21 ' HE2' ' A' ' 109' ' ' LYS . 2.0 tt -52.87 -25.99 13.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.938 HD21 ' HB3' ' A' ' 21' ' ' PRO . 82.6 mt -72.05 -41.01 67.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.497 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 1.1 m170 -85.42 -2.1 57.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.608 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.499 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.8 m170 86.95 -1.25 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.607 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -67.11 70.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.267 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.499 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -63.96 -43.61 95.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.026 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -37.91 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.465 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -75.78 -50.19 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.585 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -42.51 -54.17 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.74 -53.76 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -40.34 -58.98 1.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.503 HG21 ' O ' ' A' ' 64' ' ' ARG . 5.9 mt -63.11 -52.27 61.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.557 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -43.2 -50.08 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.576 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.87 ' O ' HG23 ' A' ' 89' ' ' VAL . 27.6 mmt180 -57.73 -54.38 47.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.7 m -53.39 -26.35 19.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.434 ' HB3' HG11 ' A' ' 95' ' ' VAL . 3.9 mt -82.3 -36.41 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.803 ' HG3' HG23 ' A' ' 92' ' ' VAL . 11.8 ttm -81.4 -9.93 59.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 85' ' ' ARG . 79.7 t -77.34 -53.16 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -95.53 -68.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.747 ' O ' HG22 ' A' ' 95' ' ' VAL . 31.5 m-70 -76.76 60.0 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.56 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.803 HG23 ' HG3' ' A' ' 88' ' ' MET . 3.1 p -82.42 -47.37 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.442 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -66.57 -16.08 63.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.407 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.46 ' OE1' HD23 ' A' ' 57' ' ' LEU . 28.0 mm-40 -90.31 -61.61 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.747 HG22 ' O ' ' A' ' 91' ' ' HIS . 26.1 m -58.73 -38.35 71.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 58.8 p -51.66 161.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.567 ' O ' HD13 ' A' ' 47' ' ' LEU . 4.7 tt0 85.9 1.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.679 ' HZ3' HG21 ' A' ' 102' ' ' VAL . 68.6 p-90 -166.45 -43.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 107.986 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 98' ' ' TRP . 0.4 OUTLIER -35.34 -43.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.449 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 28.6 m -43.49 -48.57 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.55 -59.49 10.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.128 . . . . 0.0 110.973 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.679 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 79.7 t -43.17 -50.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.547 ' HA ' HD12 ' A' ' 106' ' ' ILE . 6.6 tttt -47.26 -54.71 10.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -59.0 -52.64 64.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.488 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.8 OUTLIER -42.43 -51.38 4.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 103' ' ' LYS . 27.9 mt -49.8 -66.55 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -42.86 -62.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -49.19 -61.15 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.53 ' HE2' HD21 ' A' ' 72' ' ' LEU . 25.2 mmmt -42.99 -47.25 5.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -59.45 -47.09 86.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.85 -55.0 5.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.637 ' CD2' ' CD2' ' A' ' 32' ' ' HIS . 1.4 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.477 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 1.3 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mt -103.95 143.48 32.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.561 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 19.9 tt -53.35 -50.27 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 63.3 mt-10 -61.25 -26.89 68.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.349 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.28 -26.67 60.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.988 HG21 ' CH2' ' A' ' 52' ' ' TRP . 91.5 t -94.93 -19.78 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.5 OUTLIER -92.52 -33.17 14.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.508 ' CD ' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -45.72 -51.52 28.86 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.931 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.4 Cg_endo -75.02 -53.97 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.518 HD13 ' CD2' ' A' ' 48' ' ' LEU . 18.5 mt -45.41 -37.93 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -74.28 -44.35 53.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -50.74 -41.68 56.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.617 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -63.23 -48.89 76.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.845 HD21 ' HB3' ' A' ' 42' ' ' SER . 16.0 tp -48.02 -51.41 24.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.87 -47.12 8.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 32' ' ' HIS . 27.1 m-20 -64.82 -52.62 55.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.447 ' SG ' ' CG2' ' A' ' 33' ' ' THR . 2.1 t -53.81 -36.69 62.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 108.255 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -25.11 64.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.611 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.04 26.91 7.67 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' ASP . 85.5 m-70 -153.01 -78.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.648 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.447 ' CG2' ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -59.47 156.34 13.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -50.87 147.03 5.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -60.99 -46.88 88.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -46.37 -55.28 7.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.9 t -58.99 -40.72 81.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.1 t -59.11 -58.7 7.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.3 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -51.2 -25.73 5.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -81.08 -58.99 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.507 HG21 HD12 ' A' ' 105' ' ' LEU . 98.5 mt -46.92 -62.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.845 ' HB3' HD21 ' A' ' 26' ' ' LEU . 14.1 p -45.61 -52.42 10.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.54 -36.66 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.469 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 6.4 mmt180 -71.78 -49.15 41.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.62 HD12 HD22 ' A' ' 26' ' ' LEU . 14.1 mt -48.61 -53.26 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.95 -37.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.782 HD11 ' NE2' ' A' ' 97' ' ' GLN . 3.3 tt -78.99 -56.34 4.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.729 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 4.3 tp -42.13 -53.38 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.53 ' HB2' HD11 ' A' ' 19' ' ' LEU . 1.5 ttt180 -59.26 -58.17 9.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -47.11 -53.89 11.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.66 -36.94 74.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.988 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.3 t-105 -63.71 -61.96 1.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 108.001 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -57.51 -59.85 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.57 -32.23 0.05 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 88.78 29.44 18.37 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.404 ' O ' ' OE2' ' A' ' 94' ' ' GLU . 1.8 mmmt -87.68 -27.47 22.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 mt -73.03 159.43 33.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.551 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -91.9 153.56 19.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.2 mt -56.94 -45.08 99.99 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.0 -3.79 14.44 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.534 1.807 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.633 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 1.5 t -91.34 -30.43 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.59 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 4.4 mttp -81.56 -39.76 24.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -39.78 94.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' O ' HG21 ' A' ' 83' ' ' ILE . 1.1 mtt180 -70.0 -30.5 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.423 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -67.08 -61.54 1.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.75 -41.25 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.1 mt -52.45 -65.5 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.563 HD23 ' C ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -48.05 -45.54 32.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.585 HG11 ' HG2' ' A' ' 21' ' ' PRO . 43.8 t -58.4 -62.39 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.481 ' HA ' HD12 ' A' ' 73' ' ' LEU . 49.4 mm-40 -39.23 -41.99 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.452 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 9.7 mm-40 -65.57 -54.82 22.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 tt -50.21 -30.37 11.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.931 HD21 ' HB3' ' A' ' 21' ' ' PRO . 92.3 mt -68.99 -45.22 71.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.456 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 8.3 m170 -79.98 -2.02 42.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.625 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.497 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.4 m170 85.08 -0.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.578 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -67.87 66.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.497 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -59.74 -44.57 93.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 107.988 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.68 -44.77 38.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.452 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -67.15 -52.06 46.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.404 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -41.33 -54.26 3.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.58 -58.78 5.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.74 -65.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.452 HD13 ' N ' ' A' ' 68' ' ' LEU . 11.6 mt -52.4 -51.49 32.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.465 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -42.36 -58.65 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.857 ' O ' HG23 ' A' ' 89' ' ' VAL . 21.1 mmt85 -48.9 -55.95 10.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.9 m -41.85 -42.68 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.027 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.457 ' HB3' HG11 ' A' ' 95' ' ' VAL . 5.5 mt -71.7 -46.24 59.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.437 ' HG3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -67.91 -8.42 36.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.857 HG23 ' O ' ' A' ' 85' ' ' ARG . 76.5 t -81.15 -59.17 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -95.57 -69.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.633 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 19.4 m-70 -77.64 62.03 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.58 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 93' ' ' THR . 4.9 p -85.7 -51.05 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.475 ' N ' HG13 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -64.64 -26.67 68.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 56' ' ' LYS . 5.1 mm-40 -74.84 -50.54 16.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.6 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 23.6 m -70.39 -29.97 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.8 p -53.54 171.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.782 ' NE2' HD11 ' A' ' 47' ' ' LEU . 0.3 OUTLIER 76.36 -0.23 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.729 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 67.8 p-90 -164.0 -44.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.05 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.495 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -35.19 -35.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.473 HG23 ' N ' ' A' ' 101' ' ' GLY . 31.1 m -51.57 -51.64 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -54.62 -60.57 8.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.492 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 95.0 t -48.39 -56.31 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.767 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -40.38 -54.93 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -46.36 85.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.617 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -43.64 -54.4 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.55 HD11 HD11 ' A' ' 68' ' ' LEU . 26.2 mt -45.73 -61.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -46.22 -56.54 5.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -49.7 -65.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.55 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 7.0 mmmt -42.33 -53.13 4.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -57.83 -48.49 79.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.59 -55.65 15.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.973 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.3 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.503 HG21 ' HB2' ' A' ' 66' ' ' ALA . 1.1 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.473 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.7 mt -100.73 146.52 27.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.503 HG23 ' N ' ' A' ' 16' ' ' GLU . 15.9 tt -58.91 -55.21 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.503 ' N ' HG23 ' A' ' 15' ' ' ILE . 39.8 mt-10 -54.07 -31.07 50.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -30.18 66.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.842 HG21 ' CH2' ' A' ' 52' ' ' TRP . 59.3 t -91.8 -19.04 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.5 OUTLIER -89.98 -39.5 12.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -37.83 -52.79 2.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.657 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -74.96 -58.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.657 HD13 ' CD2' ' A' ' 48' ' ' LEU . 10.7 mt -45.17 -26.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' LEU . 11.2 mt-10 -88.9 -45.36 9.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.433 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 4.5 pt20 -60.14 -37.63 80.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.777 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -61.13 -48.19 82.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.919 HD12 ' SG ' ' A' ' 29' ' ' CYS . 28.2 tp -54.29 -63.46 1.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.9 mt-10 -37.67 -33.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -72.08 -54.64 9.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.919 ' SG ' HD12 ' A' ' 26' ' ' LEU . 13.9 p -58.56 -39.24 79.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 108.323 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -54.37 -35.96 63.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.615 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.55 32.54 6.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -159.15 -74.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.566 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.1 m -62.21 156.72 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -51.04 151.72 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -50.71 63.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.13 -43.5 7.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.97 -56.17 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.2 t -52.26 -53.6 41.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.286 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -21.98 4.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -85.33 -56.66 3.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.7 mt -53.37 -51.63 39.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.858 ' HB3' HD21 ' A' ' 26' ' ' LEU . 86.4 p -51.58 -48.8 63.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.71 -30.56 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.45 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 2.6 mmt180 -78.48 -46.77 18.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.683 HD12 HD22 ' A' ' 26' ' ' LEU . 22.5 mt -50.46 -49.94 53.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.69 -37.44 41.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.783 HD13 ' O ' ' A' ' 97' ' ' GLN . 2.4 tt -75.86 -49.59 17.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.897 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 1.3 tp -47.35 -59.28 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.556 ' HB2' HD11 ' A' ' 19' ' ' LEU . 1.7 ttt180 -55.14 -64.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -40.28 -50.71 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.4 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 1.1 mt-30 -64.02 -38.18 90.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.353 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.842 ' CH2' HG21 ' A' ' 18' ' ' VAL . 1.9 t90 -64.25 -61.2 2.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 108.006 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.99 -56.56 20.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.56 -32.37 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.28 16.56 43.19 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.39 -18.32 49.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.602 HD12 ' CB ' ' A' ' 52' ' ' TRP . 78.5 mt -85.11 144.03 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.509 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -75.18 160.7 30.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.76 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 3.5 mt -67.61 -44.55 44.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.01 -5.58 16.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.637 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.4 t -89.82 -19.59 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -93.74 -46.22 7.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.76 ' NZ ' HG22 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -55.87 -32.89 64.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.61 ' HB3' HD11 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -76.44 -40.43 50.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.486 ' CE ' HD11 ' A' ' 22' ' ' LEU . 25.1 mmm -56.05 -58.8 6.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.503 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -39.36 -45.48 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 64' ' ' ARG . 48.9 mt -53.56 -69.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.794 HD23 ' C ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -42.06 -41.51 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.794 ' N ' HD23 ' A' ' 68' ' ' LEU . 67.6 t -63.65 -53.11 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -50.31 -26.25 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 76' ' ' GLN . 6.3 mm-40 -80.32 -40.02 27.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.56 HD21 ' HG3' ' A' ' 109' ' ' LYS . 0.9 OUTLIER -65.96 -19.63 65.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.657 HD21 ' HB3' ' A' ' 21' ' ' PRO . 96.1 mt -79.45 -42.96 24.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.537 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 14.3 m-70 -80.64 -1.86 44.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.537 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 2.7 m170 89.9 -7.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' GLU . 22.1 mm-40 -64.62 84.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.488 ' CE2' ' O ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER -79.37 -34.85 41.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 108.051 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -47.91 84.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.45 ' HB1' ' CD ' ' A' ' 71' ' ' GLU . . . -61.43 -54.18 46.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.674 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -48.07 -47.75 33.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -62.18 -28.06 69.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 79' ' ' ALA . 5.0 t0 -70.77 -47.43 59.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.8 mt -70.94 -42.2 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.571 ' CE1' ' HD2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -49.64 -61.67 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.606 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.727 ' O ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -46.69 -57.49 4.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.4 p -48.77 -27.08 2.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' ' 64' ' ' ARG . 6.3 mt -83.86 -34.18 24.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.83 ' HG3' HG23 ' A' ' 92' ' ' VAL . 12.2 ttm -84.9 -9.96 57.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 85' ' ' ARG . 59.8 t -77.85 -52.41 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -95.29 -69.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.671 ' O ' HG22 ' A' ' 95' ' ' VAL . 41.4 m-70 -76.57 60.67 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.83 HG23 ' HG3' ' A' ' 88' ' ' MET . 2.7 p -83.21 -47.56 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.451 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -65.16 -11.18 37.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.392 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -95.63 -61.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 91' ' ' HIS . 27.0 m -60.22 -35.93 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 63.6 p -52.48 160.45 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.783 ' O ' HD13 ' A' ' 47' ' ' LEU . 4.1 tt0 85.64 4.8 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.897 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 67.6 p-90 -169.68 -43.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 107.972 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.433 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -36.47 -36.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.45 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 30.5 m -49.38 -49.77 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -56.5 -61.5 7.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.571 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 92.4 t -45.58 -51.09 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 0.757 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 84' ' ' HIS . 11.6 tttm -48.23 -42.1 29.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.3 tpp85 -73.94 -52.04 14.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.777 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -41.38 -53.11 3.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.535 HG12 HD12 ' A' ' 72' ' ' LEU . 41.8 mt -48.14 -58.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.65 -48.81 63.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -56.95 -58.61 7.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.56 ' HG3' HD21 ' A' ' 72' ' ' LEU . 15.7 mmmt -45.22 -59.97 2.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.467 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 15.7 tttp -48.89 -48.77 42.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.76 -47.21 67.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.504 HG21 ' HB2' ' A' ' 66' ' ' ALA . 24.1 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.2 mt -107.33 130.17 54.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.547 HD12 ' CD1' ' A' ' 52' ' ' TRP . 17.8 tt -47.19 -54.34 2.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.487 ' N ' HG23 ' A' ' 15' ' ' ILE . 45.3 mt-10 -51.16 -36.63 42.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.81 -26.62 62.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.038 HG21 ' CH2' ' A' ' 52' ' ' TRP . 50.4 t -88.35 -23.7 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.7 OUTLIER -89.68 -38.15 14.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -38.26 -52.6 3.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.596 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -75.01 -59.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.789 HD13 ' CD2' ' A' ' 48' ' ' LEU . 15.8 mt -44.52 -27.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 21' ' ' PRO . 16.3 mt-10 -88.87 -40.1 13.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.422 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 5.2 pt20 -65.89 -28.91 69.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.776 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -71.72 -42.79 66.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.809 HD21 ' HB3' ' A' ' 42' ' ' SER . 14.4 tp -52.69 -52.87 54.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -40.16 -44.21 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.409 ' OD2' HD13 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -59.24 -50.91 72.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.429 ' SG ' ' HB ' ' A' ' 33' ' ' THR . 1.0 OUTLIER -62.3 -49.6 75.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 108.348 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -48.13 -32.48 6.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.645 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.46 48.02 0.98 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.485 ' CB ' HD21 ' A' ' 112' ' ' LEU . 8.9 t60 -170.94 -71.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.735 . . . . 0.0 109.616 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.429 ' HB ' ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -71.97 151.99 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.362 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -40.64 159.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -49.0 20.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -45.15 -40.01 6.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.841 HG12 HD12 ' A' ' 41' ' ' ILE . 76.9 t -67.39 -56.05 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 23.6 t -47.7 -59.91 2.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 108.329 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -47.23 -33.06 5.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.85 -67.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.841 HD12 HG12 ' A' ' 37' ' ' VAL . 8.8 mt -44.7 -54.61 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.809 ' HB3' HD21 ' A' ' 26' ' ' LEU . 80.2 p -49.23 -49.67 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.97 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -27.39 6.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.408 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 4.5 mmt180 -79.39 -47.2 16.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.521 HD12 HD22 ' A' ' 26' ' ' LEU . 14.2 mt -52.33 -52.14 54.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.72 -41.58 15.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tt -72.74 -50.9 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.789 ' CD2' HD13 ' A' ' 22' ' ' LEU . 4.1 tp -43.99 -56.5 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.481 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -57.7 -52.53 65.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.92 -52.31 43.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -38.48 91.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 1.038 ' CH2' HG21 ' A' ' 18' ' ' VAL . 1.9 t90 -65.68 -67.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.33 -57.91 5.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.94 -25.28 0.92 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.8 13.42 69.68 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -69.53 -11.97 61.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 0.73 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.815 HD12 ' HA ' ' A' ' 52' ' ' TRP . 53.4 mt -91.83 157.51 16.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.547 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.3 m -89.06 162.9 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.027 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.6 mt -61.89 -45.92 92.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.98 -3.21 13.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.675 HG22 ' CG ' ' A' ' 91' ' ' HIS . 5.1 t -91.14 -29.55 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.594 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 4.8 mttt -83.79 -38.84 20.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -38.7 92.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.605 ' O ' HG21 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -75.12 -21.74 58.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.517 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -74.97 -55.39 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.504 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -52.18 -36.85 52.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 67' ' ' LEU . 22.1 mt -56.02 -65.41 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.914 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -46.43 -41.04 13.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.914 ' N ' HD23 ' A' ' 68' ' ' LEU . 65.7 t -62.22 -58.15 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.761 ' HA ' HD12 ' A' ' 73' ' ' LEU . 41.9 mm-40 -44.78 -36.93 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.481 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 9.1 mm-40 -68.89 -50.63 47.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.412 HD21 ' HG3' ' A' ' 109' ' ' LYS . 2.6 tt -54.32 -24.19 18.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.761 HD12 ' HA ' ' A' ' 70' ' ' GLN . 43.5 mt -73.81 -45.87 48.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.546 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 11.1 m-70 -77.85 -2.06 34.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.634 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.546 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 2.4 m170 89.39 -7.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.622 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -64.36 84.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.522 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -79.72 -29.17 40.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 107.964 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.66 -31.21 72.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.481 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -79.79 -49.99 11.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.456 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -47.26 -40.56 16.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -69.13 -54.7 13.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.97 -51.6 5.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.605 HG21 ' O ' ' A' ' 64' ' ' ARG . 12.8 mt -65.2 -50.62 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.585 ' CD2' ' SD ' ' A' ' 99' ' ' MET . 0.2 OUTLIER -47.43 -45.45 25.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.623 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 89' ' ' VAL . 2.1 mmt180 -59.42 -60.26 4.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.8 p -46.17 -30.89 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.741 ' HB3' HG11 ' A' ' 95' ' ' VAL . 14.2 mt -76.69 -46.05 27.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.414 ' CG ' ' HG2' ' A' ' 99' ' ' MET . 67.1 mmm -69.87 -8.77 51.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 85' ' ' ARG . 69.8 t -82.8 -56.57 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -95.04 -70.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.675 ' CG ' HG22 ' A' ' 61' ' ' VAL . 6.6 m-70 -77.17 61.83 2.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.597 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.547 HG13 ' N ' ' A' ' 93' ' ' THR . 9.7 p -84.79 -53.19 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.547 ' N ' HG13 ' A' ' 92' ' ' VAL . 33.5 p -61.87 -12.04 15.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -94.77 -61.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.741 HG11 ' HB3' ' A' ' 87' ' ' LEU . 10.3 m -63.28 -26.53 41.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 58.1 p -61.44 162.25 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.8 tt0 84.83 -0.11 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.594 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.6 p-90 -163.43 -45.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 107.96 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.585 ' SD ' ' CD2' ' A' ' 84' ' ' HIS . 29.3 tpp -36.57 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 101' ' ' GLY . 35.3 m -53.37 -50.87 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.487 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -55.6 -58.64 13.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.567 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 83.6 t -43.26 -52.0 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.677 ' HA ' HD12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -47.2 -49.29 23.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -65.38 -55.14 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.776 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -41.36 -49.22 3.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 103' ' ' LYS . 17.3 mt -50.19 -66.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.22 -49.05 12.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.494 ' OE2' HG11 ' A' ' 37' ' ' VAL . 85.4 mt-10 -54.29 -67.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.412 ' HG3' HD21 ' A' ' 72' ' ' LEU . 18.5 mmmt -40.83 -54.09 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.522 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 3.5 tttm -48.57 -48.48 38.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.36 -57.46 11.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.485 HD21 ' CB ' ' A' ' 32' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.525 HG21 ' HB2' ' A' ' 66' ' ' ALA . 3.3 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mt -97.24 141.1 30.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.2 tt -61.45 -34.24 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.41 -8.14 55.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.89 -25.73 15.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.87 HG21 ' CH2' ' A' ' 52' ' ' TRP . 97.9 t -95.26 -19.94 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.586 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -93.08 -36.49 12.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -45.41 -50.77 29.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.681 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.4 Cg_endo -74.99 -50.03 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.541 1.811 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.545 HD13 HD21 ' A' ' 48' ' ' LEU . 11.6 mt -49.61 -43.41 46.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.19 -49.03 47.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.419 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 20.7 mm-40 -47.27 -41.68 19.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.285 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.825 ' HB3' HD21 ' A' ' 105' ' ' LEU . . . -62.65 -49.41 75.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.86 HD12 ' SG ' ' A' ' 29' ' ' CYS . 13.0 tp -49.65 -33.44 15.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.53 -29.36 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.445 ' HB3' ' CD1' ' A' ' 112' ' ' LEU . 4.6 m-20 -75.14 -31.23 61.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.86 ' SG ' HD12 ' A' ' 26' ' ' LEU . 13.5 p -87.13 -38.91 16.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 108.29 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.416 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.6 OUTLIER -53.13 -33.41 52.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.7 34.55 5.68 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -159.36 -67.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 0.0 109.615 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' CYS . 2.9 m -65.0 153.9 39.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -53.37 132.69 39.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.57 -36.09 4.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -59.07 -70.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 37' ' ' VAL . 17.7 t -48.29 -28.86 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 9.3 t -71.03 -48.28 53.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 108.315 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -61.58 -24.87 66.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -76.48 -49.23 17.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.32 -55.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.365 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.59 ' HB3' HD21 ' A' ' 26' ' ' LEU . 20.8 p -45.34 -57.47 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -38.3 -35.91 0.2 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.453 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 4.1 mmt180 -71.62 -56.47 5.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.665 HD12 HD22 ' A' ' 26' ' ' LEU . 12.3 mt -47.62 -49.78 26.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.75 -34.76 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.484 HD21 ' HG3' ' A' ' 51' ' ' GLN . 3.4 tt -82.7 -59.2 2.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.738 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 5.8 tp -39.7 -39.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.586 ' HB2' HD11 ' A' ' 19' ' ' LEU . 15.8 ttt180 -72.06 -63.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 54' ' ' GLY . 49.9 mt-10 -43.58 -48.09 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.484 ' HG3' HD21 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -64.0 -37.41 87.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.87 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.1 t90 -65.86 -65.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -55.37 -59.78 4.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.82 -35.02 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.4 19.71 34.6 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -83.9 -18.28 37.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.48 -178.7 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 0.7 OUTLIER -114.41 149.61 35.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.611 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.2 mt -56.95 -46.0 99.91 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.04 -6.87 18.57 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.465 1.771 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.551 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 1.5 t -89.38 -18.3 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.649 ' NZ ' ' CD1' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -94.51 -44.4 7.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HE2' ' CG2' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.05 -34.82 68.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.585 ' HB3' HD11 ' A' ' 87' ' ' LEU . 1.1 mtt180 -78.79 -35.3 44.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.521 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.85 -53.94 42.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.525 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -49.01 -41.94 36.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.521 ' HB3' HD13 ' A' ' 83' ' ' ILE . 42.4 mt -52.07 -67.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.975 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -44.73 -44.53 9.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.975 ' N ' HD23 ' A' ' 68' ' ' LEU . 58.2 t -58.46 -56.19 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -47.91 -25.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.479 ' CD ' ' HB1' ' A' ' 79' ' ' ALA . 5.2 mm-40 -81.63 -39.21 24.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.24 -21.46 66.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.681 HD21 ' HB3' ' A' ' 21' ' ' PRO . 83.0 mt -77.72 -40.82 39.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.562 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 8.6 m170 -84.06 -2.06 56.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.644 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.562 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 2.2 m170 86.61 -2.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' GLU . 10.0 mm100 -67.73 70.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.494 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -64.62 -47.46 78.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 107.979 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.1 -52.47 20.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.479 ' HB1' ' CD ' ' A' ' 71' ' ' GLU . . . -57.53 -54.76 43.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.707 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -49.13 -43.65 41.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.68 -40.1 96.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.84 -54.0 50.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.521 HD13 ' HB3' ' A' ' 67' ' ' LEU . 26.1 mt -61.85 -42.69 95.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.446 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -50.84 -44.61 59.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.529 ' O ' HG23 ' A' ' 89' ' ' VAL . 15.4 mmt85 -63.67 -51.77 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.8 p -46.43 -37.24 7.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 64' ' ' ARG . 12.2 mt -73.78 -35.97 65.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.516 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -74.05 -9.03 58.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 85' ' ' ARG . 61.5 t -78.77 -52.7 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.64 -69.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.632 ' O ' HG22 ' A' ' 95' ' ' VAL . 4.0 m-70 -82.21 63.6 6.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.635 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 88' ' ' MET . 1.4 p -79.67 -39.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.89 -57.51 3.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -45.13 -55.82 5.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 91' ' ' HIS . 18.1 m -60.05 -35.36 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.364 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.522 ' O ' ' CD1' ' A' ' 98' ' ' TRP . 0.7 OUTLIER -49.97 177.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.465 ' OE1' HD11 ' A' ' 47' ' ' LEU . 12.5 mt-30 69.04 3.46 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.738 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 67.3 p-90 -168.0 -43.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 108.015 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.525 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -35.77 -35.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.518 HG23 ' N ' ' A' ' 101' ' ' GLY . 27.3 m -55.65 -53.47 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.518 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -49.77 -57.04 10.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.62 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 94.8 t -44.15 -53.07 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 0.755 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -48.5 -41.67 30.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -71.4 -55.82 7.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.825 HD21 ' HB3' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -42.02 -52.16 4.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 39.6 mt -50.67 -63.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.1 -51.98 9.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -53.62 -61.9 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -45.9 -57.4 4.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -51.62 -54.27 29.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.07 -54.15 7.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.037 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 74.6 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt -98.85 148.25 24.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.548 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 12.0 tt -65.88 -46.87 87.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -64.48 -11.24 31.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.66 -29.93 18.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.794 HG21 ' HH2' ' A' ' 52' ' ' TRP . 86.5 t -96.35 -18.12 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.96 -37.42 12.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.505 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER -41.79 -51.42 9.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.588 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -75.01 -53.56 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.463 HD11 ' CE ' ' A' ' 65' ' ' MET . 11.0 mt -44.72 -36.65 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -75.4 -46.38 33.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 2.2 mm-40 -47.49 -35.71 9.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.937 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -71.1 -50.48 33.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.844 HD21 ' HB3' ' A' ' 42' ' ' SER . 26.8 tp -47.79 -68.39 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -44.17 -48.35 9.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.438 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -57.23 -36.94 71.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' LEU . 6.2 m -75.31 -38.44 60.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.367 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.436 ' CE1' ' HZ2' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -59.23 -21.95 60.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.579 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.39 24.33 11.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.519 ' HB3' HD21 ' A' ' 112' ' ' LEU . 39.8 m-70 -152.52 -65.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.635 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.1 m -73.07 153.17 40.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.583 ' HB2' HG23 ' A' ' 37' ' ' VAL . 22.3 mtpp -40.48 159.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.436 ' HZ2' ' CE1' ' A' ' 30' ' ' HIS . 31.9 tptt -76.31 -46.54 27.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -57.89 -38.89 76.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.583 HG23 ' HB2' ' A' ' 34' ' ' LYS . 91.9 t -64.1 -49.0 83.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.05 -57.53 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 108.271 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.59 -38.0 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.37 -55.74 10.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.1 mt -55.93 -58.29 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.844 ' HB3' HD21 ' A' ' 26' ' ' LEU . 3.3 p -46.13 -50.32 15.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.71 -35.71 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -70.65 -54.27 12.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.782 HD12 HD22 ' A' ' 26' ' ' LEU . 14.0 mt -45.96 -52.55 11.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.14 -34.46 1.83 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.555 HD11 ' OE1' ' A' ' 97' ' ' GLN . 3.7 tt -80.14 -55.0 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.585 HD12 HD11 ' A' ' 57' ' ' LEU . 8.1 tp -41.57 -60.28 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 64.0 ttt-85 -52.32 -61.74 2.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' GLY . 46.2 mt-10 -44.54 -44.52 8.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.407 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -70.17 -38.02 75.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.794 ' HH2' HG21 ' A' ' 18' ' ' VAL . 1.9 t90 -65.67 -60.9 2.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 108.018 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -61.78 -55.02 34.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.42 -32.53 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 96.23 17.29 34.89 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -84.34 -27.38 27.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.761 . . . . 0.0 109.245 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.731 HD12 ' CB ' ' A' ' 52' ' ' TRP . 59.7 mt -74.19 144.18 44.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.513 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -80.06 162.26 24.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.974 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.793 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 3.9 mt -67.68 -44.72 44.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -74.98 -5.4 16.75 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.552 ' CG2' ' ND1' ' A' ' 91' ' ' HIS . 3.0 t -89.78 -19.73 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.581 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 1.0 OUTLIER -93.4 -46.66 7.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.793 ' NZ ' HG22 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -54.84 -31.49 59.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.506 ' HB3' HD11 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -76.81 -46.58 24.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.463 ' CE ' HD11 ' A' ' 22' ' ' LEU . 23.0 mmm -53.29 -58.33 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.4 -32.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.231 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.41 ' HB2' HG21 ' A' ' 83' ' ' ILE . 8.8 mt -65.0 -61.36 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.858 HD12 ' O ' ' A' ' 80' ' ' ALA . 1.3 tt -48.19 -44.6 32.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.588 HG11 ' HG2' ' A' ' 21' ' ' PRO . 46.4 t -59.1 -62.83 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.51 ' HA ' HD12 ' A' ' 73' ' ' LEU . 39.6 mm-40 -38.74 -40.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.443 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 10.6 mm-40 -66.85 -53.26 34.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 tt -50.96 -29.44 12.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 21' ' ' PRO . 94.2 mt -68.87 -47.64 65.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.24 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.499 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -76.65 -2.15 31.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.573 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.516 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 3.1 m170 87.3 -4.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.589 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -65.01 77.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.547 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 0.9 OUTLIER -72.65 -33.84 66.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 107.973 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -35.25 74.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -77.23 -49.8 14.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.858 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -41.57 -54.18 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -59.36 -54.0 51.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -40.61 -64.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.446 HD13 ' N ' ' A' ' 68' ' ' LEU . 10.4 mt -52.95 -55.19 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.469 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -41.12 -56.49 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.582 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 89' ' ' VAL . 20.3 mmt180 -48.62 -59.02 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.6 m -47.71 -35.88 10.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.009 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.506 HD11 ' HB3' ' A' ' 64' ' ' ARG . 8.6 mt -72.69 -32.77 66.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.915 ' HG3' HG23 ' A' ' 92' ' ' VAL . 9.8 ttm -80.9 -8.57 59.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 85' ' ' ARG . 45.6 t -75.63 -57.6 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -90.31 -52.52 4.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.572 ' O ' HG13 ' A' ' 95' ' ' VAL . 3.6 m-70 -99.07 74.04 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.64 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.915 HG23 ' HG3' ' A' ' 88' ' ' MET . 9.6 p -82.18 -53.96 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.557 ' N ' HG13 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -63.72 -54.54 33.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -42.39 -50.24 5.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.588 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 5.7 m -73.76 -32.57 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 12.8 p -56.86 160.7 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.954 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.555 ' OE1' HD11 ' A' ' 47' ' ' LEU . 4.8 tt0 85.63 0.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.588 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.8 p-90 -164.88 -44.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 98' ' ' TRP . 30.9 tpp -36.96 -32.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 101' ' ' GLY . 32.9 m -55.08 -51.63 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.5 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -53.38 -58.0 13.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.588 HG12 HD11 ' A' ' 106' ' ' ILE . 94.1 t -44.45 -55.78 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -44.12 -48.2 9.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -65.03 -55.71 17.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.937 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -43.24 -56.84 3.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.588 HD11 HG12 ' A' ' 102' ' ' VAL . 19.2 mt -44.69 -60.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.26 -49.91 65.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -53.46 -58.74 6.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.5 ' HD2' HD12 ' A' ' 112' ' ' LEU . 11.4 mmmt -47.36 -50.99 20.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.547 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 27.2 tttm -52.2 -41.31 62.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -52.16 66.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.519 HD21 ' HB3' ' A' ' 32' ' ' HIS . 69.8 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.515 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 1.3 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 mt -100.97 147.93 25.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.567 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 14.1 tt -63.34 -39.84 86.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -70.75 -6.43 37.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.36 -27.74 13.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.89 HG21 ' CH2' ' A' ' 52' ' ' TRP . 22.3 t -95.3 -22.46 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -89.93 -40.66 12.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.481 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -38.33 -52.82 3.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.573 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.3 Cg_endo -74.95 -55.05 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.748 HD11 ' CE ' ' A' ' 65' ' ' MET . 10.4 mt -45.72 -32.17 2.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 19' ' ' LEU . 9.6 mt-10 -84.14 -48.73 9.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -52.75 -26.19 13.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.827 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -74.1 -38.85 63.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.687 HD11 ' SG ' ' A' ' 38' ' ' CYS . 7.4 tp -59.49 -54.87 41.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -45.94 -47.7 16.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -35.56 71.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' LEU . 11.3 m -75.46 -38.04 59.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 108.328 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -17.6 12.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.86 16.39 23.32 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.586 ' CD2' HD22 ' A' ' 112' ' ' LEU . 34.2 m-70 -149.8 -70.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.559 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 1.001 HG22 HG11 ' A' ' 37' ' ' VAL . 11.1 m -56.12 151.15 12.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HB2' HG12 ' A' ' 37' ' ' VAL . 3.3 mtmt -55.39 -176.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -83.7 -63.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -41.3 -52.83 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 1.001 HG11 HG22 ' A' ' 33' ' ' THR . 2.5 p -46.85 -62.73 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.692 ' H ' HG13 ' A' ' 37' ' ' VAL . 47.0 t -50.12 -61.44 2.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.96 -29.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 38' ' ' CYS . 1.3 t70 -80.26 -60.39 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.534 HD12 HG22 ' A' ' 37' ' ' VAL . 17.9 mt -50.72 -52.57 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.66 ' HB3' HD21 ' A' ' 26' ' ' LEU . 24.8 p -50.12 -56.39 11.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -40.72 -35.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.4 ' HB3' ' HA ' ' A' ' 98' ' ' TRP . 1.2 mmt85 -71.64 -48.62 46.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.469 ' CD1' HD22 ' A' ' 26' ' ' LEU . 8.5 mt -49.66 -55.19 14.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.39 -44.3 2.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.701 HD11 ' NE2' ' A' ' 97' ' ' GLN . 3.5 tt -71.3 -51.99 21.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.648 ' CD2' HD13 ' A' ' 22' ' ' LEU . 28.7 tp -41.84 -54.69 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -61.37 -49.13 78.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 54' ' ' GLY . 25.2 mt-10 -53.0 -47.22 68.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.443 ' HG3' HD21 ' A' ' 47' ' ' LEU . 1.2 mt-30 -69.66 -36.71 76.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.89 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.3 t-105 -66.85 -63.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.018 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -60.91 -54.47 44.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.05 -37.49 0.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.63 25.93 10.34 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -94.15 -23.52 17.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 52' ' ' TRP . 27.8 mt -71.89 158.3 36.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.645 ' OG ' HG23 ' A' ' 61' ' ' VAL . 9.6 p -96.91 155.97 16.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.6 mt -60.14 -45.04 97.82 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.0 -3.22 13.6 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.645 HG23 ' OG ' ' A' ' 58' ' ' SER . 2.0 t -92.03 -21.56 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.594 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 13.9 mttt -92.88 -42.16 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -35.68 78.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -72.88 -45.28 59.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.748 ' CE ' HD11 ' A' ' 22' ' ' LEU . 18.0 mmm -54.02 -58.52 7.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.54 -38.2 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.471 ' HB2' HG21 ' A' ' 83' ' ' ILE . 7.7 mt -56.29 -64.41 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.708 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -49.77 -42.45 46.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.708 ' N ' HD23 ' A' ' 68' ' ' LEU . 59.5 t -61.49 -56.5 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.668 ' HA ' HD12 ' A' ' 73' ' ' LEU . 41.1 mm-40 -45.85 -37.65 6.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.503 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 7.9 mm-40 -69.71 -51.44 34.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tt -52.37 -25.73 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 70' ' ' GLN . 60.7 mt -71.44 -46.47 59.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.516 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 12.0 m170 -78.51 -1.8 35.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.649 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.516 ' CB ' ' O ' ' A' ' 74' ' ' HIS . 2.3 m170 88.59 -7.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -63.14 82.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.55 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 0.9 OUTLIER -76.75 -36.05 57.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -57.93 -34.27 69.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.503 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -76.91 -49.84 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -45.36 -49.11 13.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.12 -44.49 95.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -50.45 -55.81 14.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.471 HG21 ' HB2' ' A' ' 67' ' ' LEU . 6.3 mt -64.3 -47.9 87.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.43 -38.81 20.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.622 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.482 ' O ' HG23 ' A' ' 89' ' ' VAL . 21.3 mmt85 -67.56 -56.1 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.8 p -46.48 -34.21 4.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.08 -39.96 65.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 85' ' ' ARG . 94.1 mmm -69.1 -8.68 47.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 85' ' ' ARG . 72.5 t -78.73 -61.46 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -95.74 -69.88 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.464 ' ND1' HG23 ' A' ' 61' ' ' VAL . 34.9 m-70 -74.73 61.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.627 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 93' ' ' THR . 4.4 p -88.55 -50.02 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.464 ' N ' HG13 ' A' ' 92' ' ' VAL . 1.0 OUTLIER -70.15 -9.85 56.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.42 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -89.13 -59.1 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.608 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 11.0 m -65.34 -32.43 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.6 p -50.78 170.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.701 ' NE2' HD11 ' A' ' 47' ' ' LEU . 0.9 OUTLIER 77.11 -0.2 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.608 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 69.0 p-90 -164.8 -44.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.0 tpp -37.79 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 101' ' ' GLY . 25.8 m -56.75 -48.39 81.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.54 -61.94 6.9 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.489 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 74.3 t -45.13 -47.55 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 0.728 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.435 ' HA ' HD12 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -47.02 -56.31 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -60.87 -50.22 74.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.827 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -42.01 -51.75 4.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.527 HD11 HD11 ' A' ' 68' ' ' LEU . 45.6 mt -47.15 -61.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.28 -51.38 11.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -55.19 -64.7 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.706 ' HA ' HD12 ' A' ' 112' ' ' LEU . 18.0 mmmt -40.8 -53.56 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.55 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 9.6 tttp -58.05 -53.17 61.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.8 t -51.86 -47.84 64.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 109' ' ' LYS . 55.3 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.576 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 2.1 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.8 mt -112.27 144.65 41.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.493 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 14.5 tt -57.99 -35.73 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -73.11 -18.78 61.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.42 -22.93 21.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.913 HG21 ' CH2' ' A' ' 52' ' ' TRP . 48.6 t -95.49 -22.95 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -92.04 -31.52 15.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.497 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 2.6 mmt180 -48.09 -51.63 47.21 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.566 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.03 -51.11 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.791 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.534 HD13 ' CD2' ' A' ' 48' ' ' LEU . 10.4 mt -45.94 -41.25 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.96 -46.85 50.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -49.24 -29.59 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.77 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -76.77 -47.04 22.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.686 HD22 HD12 ' A' ' 45' ' ' LEU . 28.2 tp -49.5 -68.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -40.93 -41.66 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.456 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -61.76 -52.01 65.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' THR . 23.5 m -62.9 -49.72 73.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 108.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.36 -42.36 2.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.639 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.9 43.09 1.77 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.584 ' HB3' HD21 ' A' ' 112' ' ' LEU . 24.4 m-70 -165.37 -64.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.607 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' CYS . 4.3 m -73.79 149.68 41.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -45.77 133.03 8.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -47.25 -54.55 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -41.21 -58.18 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.424 ' HB ' HG22 ' A' ' 33' ' ' THR . 70.9 t -51.71 -60.32 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.4 t -44.45 -60.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.281 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.01 -37.41 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' VAL . 4.5 t70 -70.48 -57.45 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.548 HG21 HD12 ' A' ' 105' ' ' LEU . 96.5 mt -49.79 -61.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.45 ' HB3' HD21 ' A' ' 26' ' ' LEU . 12.6 p -39.63 -59.06 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.28 -46.88 6.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.439 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 16.5 mmt180 -59.34 -40.97 88.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.686 HD12 HD22 ' A' ' 26' ' ' LEU . 11.1 mt -60.17 -56.01 26.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' LEU . . . -40.03 -46.63 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.14 -50.79 60.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.567 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 8.7 tp -45.74 -57.57 4.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.465 ' HB2' HD11 ' A' ' 19' ' ' LEU . 16.4 ttt180 -57.41 -59.41 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -44.52 -49.85 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -65.34 -37.68 87.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.913 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.0 t90 -65.68 -62.83 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 107.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -58.18 -58.31 9.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.87 -35.95 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.97 37.1 5.55 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.4 ' O ' ' OE2' ' A' ' 94' ' ' GLU . 2.0 mmtt -99.05 -23.69 15.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 52' ' ' TRP . 40.8 mt -78.26 148.28 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.538 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.2 m -78.16 163.15 26.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.9 mt -64.25 -45.26 78.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.03 -2.58 12.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.54 ' CG2' ' ND1' ' A' ' 91' ' ' HIS . 3.9 t -89.7 -27.33 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.615 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 24.2 mttt -86.38 -42.2 13.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -36.33 79.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -72.18 -44.26 63.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 66' ' ' ALA . 23.7 mmm -51.64 -61.56 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -38.17 -42.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.239 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.45 ' HB2' HG21 ' A' ' 83' ' ' ILE . 9.1 mt -50.35 -65.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.365 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.895 HD12 ' O ' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -48.45 -46.38 37.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.566 HG11 ' HG2' ' A' ' 21' ' ' PRO . 47.0 t -56.74 -59.27 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.493 ' HA ' HD12 ' A' ' 73' ' ' LEU . 33.9 mm-40 -43.4 -43.36 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.497 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 9.0 mm-40 -63.71 -55.36 23.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 tt -46.4 -37.17 7.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 70' ' ' GLN . 59.0 mt -62.54 -48.0 81.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.445 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 33.7 m170 -75.83 -1.97 27.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.621 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.472 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.2 m170 83.5 -1.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.625 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -67.26 70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.566 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 1.0 OUTLIER -63.66 -42.18 98.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 107.964 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.02 -41.47 59.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.497 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -70.69 -51.16 29.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.895 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -44.42 -52.98 7.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -58.99 5.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -39.82 -60.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.45 HG21 ' HB2' ' A' ' 67' ' ' LEU . 13.7 mt -57.34 -54.53 29.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -43.55 -49.69 7.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.576 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 1.012 ' O ' HG23 ' A' ' 89' ' ' VAL . 20.1 mmt85 -56.61 -48.39 77.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.9 m -53.66 -39.95 65.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.69 ' HB3' HG11 ' A' ' 95' ' ' VAL . 9.2 mt -71.68 -32.25 67.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.473 ' O ' ' CG ' ' A' ' 88' ' ' MET . 11.6 ttm -86.32 -8.71 57.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 1.012 HG23 ' O ' ' A' ' 85' ' ' ARG . 70.4 t -81.11 -50.56 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -95.34 -69.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.85 ' O ' HG22 ' A' ' 95' ' ' VAL . 2.1 m-70 -75.12 61.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.62 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.413 HG23 ' HG3' ' A' ' 88' ' ' MET . 9.8 p -86.72 -14.71 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.0 p -97.37 -10.34 25.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.359 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 56' ' ' LYS . 5.8 mm-40 -104.05 -62.72 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.85 HG22 ' O ' ' A' ' 91' ' ' HIS . 10.1 m -55.26 -33.99 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.1 p -55.17 170.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.84 -0.42 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.678 ' HZ3' HG21 ' A' ' 102' ' ' VAL . 62.3 p-90 -160.94 -46.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.031 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.35 -45.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 29.4 m -45.22 -45.3 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.075 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.81 -57.2 21.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.678 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 88.2 t -50.4 -47.58 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.449 ' HD2' ' CE1' ' A' ' 84' ' ' HIS . 20.0 tttm -46.97 -47.41 21.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -69.01 -49.01 61.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 110.276 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.77 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -40.94 -55.82 2.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.666 HD11 HD11 ' A' ' 68' ' ' LEU . 22.1 mt -43.9 -65.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -42.13 -58.45 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -50.52 -64.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.728 ' HA ' HD12 ' A' ' 112' ' ' LEU . 23.1 mmmt -42.94 -50.42 5.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.566 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 46.1 tttt -55.57 -63.51 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.37 -53.11 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.963 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' A' ' 109' ' ' LYS . 6.8 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.485 HG21 ' HB2' ' A' ' 66' ' ' ALA . 17.3 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.79 150.42 20.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.537 HD12 ' CD1' ' A' ' 52' ' ' TRP . 19.4 tt -61.62 -50.68 79.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.446 ' N ' HG23 ' A' ' 15' ' ' ILE . 83.7 mt-10 -61.68 -15.46 40.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 -30.37 23.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.74 HG21 ' HH2' ' A' ' 52' ' ' TRP . 59.4 t -96.01 -19.89 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 15' ' ' ILE . 0.6 OUTLIER -89.66 -38.09 14.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.479 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 1.1 mmt180 -38.3 -52.67 3.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.564 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.3 Cg_endo -74.99 -58.31 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.71 HD11 ' CE ' ' A' ' 65' ' ' MET . 13.6 mt -45.22 -26.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 21' ' ' PRO . 9.1 mt-10 -90.12 -39.37 12.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.426 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 5.9 pt20 -66.21 -29.84 70.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.593 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -67.08 -51.67 51.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.675 HD11 ' SG ' ' A' ' 38' ' ' CYS . 12.3 tp -46.87 -47.35 21.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -46.24 -32.64 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.6 -39.29 73.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -77.03 -35.15 57.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.446 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -59.5 -22.73 62.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.642 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.6 43.58 1.35 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.428 ' CB ' HD21 ' A' ' 112' ' ' LEU . 16.1 t60 -166.6 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.598 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.529 HG21 ' OE1' ' A' ' 108' ' ' GLU . 0.9 OUTLIER -68.4 151.75 46.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.413 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -45.6 155.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -69.66 -46.26 66.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -46.75 -47.68 20.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.03 -39.05 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.675 ' SG ' HD11 ' A' ' 26' ' ' LEU . 49.6 t -64.29 -53.47 48.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -49.9 -24.78 2.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.56 -59.31 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.6 mt -53.74 -59.08 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.635 ' HB3' HD21 ' A' ' 26' ' ' LEU . 23.3 p -42.07 -58.87 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.69 -46.15 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.452 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 62.6 mmt-85 -62.76 -41.06 99.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.418 1.074 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' ALA . 10.4 mt -53.84 -57.62 10.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' LEU . . . -40.02 -45.41 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.829 HD13 ' O ' ' A' ' 97' ' ' GLN . 0.9 OUTLIER -66.07 -58.88 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.669 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 8.7 tp -40.43 -52.12 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -63.72 -61.79 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -44.73 -50.11 10.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.42 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -66.35 -38.28 87.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.74 ' HH2' HG21 ' A' ' 18' ' ' VAL . 1.8 t90 -64.45 -63.24 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 108.005 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.51 -56.71 18.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.51 -34.24 0.24 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.31 18.96 29.4 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -84.01 -14.15 51.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.401 HD12 ' CB ' ' A' ' 52' ' ' TRP . 46.1 mt -91.65 136.6 33.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.512 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -68.1 161.01 27.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.009 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.668 HG22 ' CE ' ' A' ' 63' ' ' LYS . 2.8 mp -67.31 -44.54 47.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -75.07 -5.62 16.99 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.48 HG22 ' CG ' ' A' ' 91' ' ' HIS . 2.5 t -89.52 -20.11 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -94.36 -45.87 7.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.668 ' CE ' HG22 ' A' ' 59' ' ' ILE . 1.7 mtmp? -54.68 -35.09 63.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.912 ' CB ' HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -71.64 -40.61 69.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.71 ' CE ' HD11 ' A' ' 22' ' ' LEU . 22.0 mmm -57.25 -57.44 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.485 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -39.09 -43.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.0 mt -54.51 -66.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.858 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -45.28 -43.41 10.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.858 ' N ' HD23 ' A' ' 68' ' ' LEU . 76.1 t -58.9 -53.71 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -51.37 -29.24 14.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.47 ' CD ' ' HB1' ' A' ' 79' ' ' ALA . 6.0 mm-40 -75.75 -41.0 54.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.792 HD21 ' HG3' ' A' ' 109' ' ' LYS . 0.9 OUTLIER -63.14 -26.09 68.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.0 mt -79.14 -37.65 38.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.551 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER -83.39 -2.0 54.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.585 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.551 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 0.7 OUTLIER 82.91 -3.21 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.623 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 71' ' ' GLU . 29.5 mm-40 -69.15 61.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.518 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -56.19 -46.71 79.31 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -49.05 -50.68 35.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.47 ' HB1' ' CD ' ' A' ' 71' ' ' GLU . . . -60.01 -54.16 49.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.356 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.619 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -45.37 -46.06 12.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.16 -38.84 92.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -58.54 -50.22 74.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.5 mt -68.6 -43.63 83.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.562 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -50.38 -57.9 6.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.551 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.785 ' O ' HG23 ' A' ' 89' ' ' VAL . 22.6 mmt180 -51.21 -53.15 37.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.333 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.6 m -47.94 -44.12 29.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 110.038 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.912 HD21 ' CB ' ' A' ' 64' ' ' ARG . 30.5 mt -67.47 -29.99 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.772 ' HG3' HG23 ' A' ' 92' ' ' VAL . 12.4 ttm -87.84 -9.24 54.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 85' ' ' ARG . 78.7 t -83.46 -49.7 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.5 -69.64 0.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.576 ' O ' HG13 ' A' ' 95' ' ' VAL . 15.5 m-70 -81.66 62.62 5.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.584 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.772 HG23 ' HG3' ' A' ' 88' ' ' MET . 3.5 p -81.9 -50.81 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.487 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 31.5 p -62.57 -11.82 18.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -95.77 -61.93 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.746 HG11 ' HB3' ' A' ' 87' ' ' LEU . 10.5 m -61.71 -27.46 42.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 58.1 p -61.08 163.22 6.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.829 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.1 tt0 83.24 1.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.669 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 69.7 p-90 -164.12 -46.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 108.04 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.485 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.4 OUTLIER -37.92 -42.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.452 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 27.2 m -45.53 -46.7 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -59.47 -59.96 9.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.475 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 76.7 t -47.82 -46.96 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.95 -52.96 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -61.73 -47.85 83.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.593 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -40.64 -60.21 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.486 HD11 HD11 ' A' ' 68' ' ' LEU . 17.4 mt -44.45 -52.26 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.79 -42.55 75.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.529 ' OE1' HG21 ' A' ' 33' ' ' THR . 2.2 mm-40 -61.6 -66.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.792 ' HG3' HD21 ' A' ' 72' ' ' LEU . 17.9 mmmt -40.62 -54.42 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -48.16 -55.56 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.66 -59.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.428 HD21 ' CB ' ' A' ' 32' ' ' HIS . 1.8 mp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.592 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 1.4 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mt -105.34 151.9 23.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.56 ' CD1' ' HB2' ' A' ' 53' ' ' ALA . 19.5 tt -62.02 -41.06 89.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 20' ' ' ARG . 39.8 mt-10 -75.01 -8.0 55.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.51 -31.27 16.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.935 HG21 ' CH2' ' A' ' 52' ' ' TRP . 38.7 t -92.84 -16.1 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.434 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -92.02 -37.38 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.514 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -43.13 -50.84 14.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.717 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.02 -53.2 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.548 HD13 ' CD2' ' A' ' 48' ' ' LEU . 8.4 mt -43.61 -39.93 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -73.77 -48.09 34.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -46.55 -46.54 19.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.67 ' HB1' ' HD3' ' A' ' 109' ' ' LYS . . . -57.71 -55.03 40.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.695 HD21 ' HB3' ' A' ' 42' ' ' SER . 32.4 tp -43.46 -54.94 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -41.11 -43.62 2.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -54.81 26.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.46 ' SG ' HD12 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -55.3 -46.66 76.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.254 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.46 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -49.9 -24.1 2.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.28 34.18 4.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -160.02 -66.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 109.593 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.82 150.63 48.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.44 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.3 146.75 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -29.44 70.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -68.91 -57.16 5.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.0 t -58.46 -31.97 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.5 t -67.19 -52.1 45.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 108.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -54.52 -32.96 59.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.73 -64.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 52.9 mt -41.61 -62.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.695 ' HB3' HD21 ' A' ' 26' ' ' LEU . 78.7 p -44.06 -54.52 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -47.86 -39.04 17.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.468 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 15.4 mmt180 -69.17 -36.54 77.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.543 HD12 HD22 ' A' ' 26' ' ' LEU . 15.5 mt -59.78 -55.93 28.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.47 -45.54 2.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.73 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.2 tt -67.75 -56.36 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.796 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 2.3 tp -40.58 -52.27 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.434 ' HB2' HD11 ' A' ' 19' ' ' LEU . 29.7 ttt85 -62.07 -44.13 97.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' GLY . 31.4 mt-10 -61.09 -46.56 90.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -68.13 -38.56 82.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.935 ' CH2' HG21 ' A' ' 18' ' ' VAL . 1.7 t-105 -63.15 -61.66 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.56 ' HB2' ' CD1' ' A' ' 15' ' ' ILE . . . -60.75 -56.8 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.45 -33.59 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 97.69 7.76 56.42 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' O ' ' OE1' ' A' ' 94' ' ' GLU . 1.5 mmmt -71.56 -10.64 60.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 52' ' ' TRP . 76.0 mt -96.77 142.44 28.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.547 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.1 m -75.08 162.68 28.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.633 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 6.1 mt -64.22 -45.03 78.61 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -75.03 -2.57 12.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.661 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.5 t -89.83 -29.4 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.611 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 34.3 mttm -84.92 -42.06 15.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -35.43 77.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.756 ' CB ' HD21 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -75.11 -42.38 56.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.317 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -57.49 10.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.432 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -42.05 -35.96 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.3 -61.88 2.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.631 HD23 ' C ' ' A' ' 68' ' ' LEU . 1.1 tt -49.18 -42.9 41.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.633 HG21 HG13 ' A' ' 18' ' ' VAL . 46.9 t -61.01 -60.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.425 ' HA ' HD12 ' A' ' 73' ' ' LEU . 64.5 mm-40 -42.45 -43.69 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 44.1 mm-40 -63.81 -55.59 21.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tt -49.55 -33.37 14.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' A' ' 21' ' ' PRO . 88.8 mt -66.19 -43.98 85.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.471 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 10.0 m-70 -80.56 -2.29 45.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.548 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.512 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 3.4 m170 85.16 0.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.624 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.404 ' CB ' ' OE1' ' A' ' 71' ' ' GLU . 35.5 mm-40 -69.3 70.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.516 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -65.7 -37.89 87.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 108.037 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.58 -34.44 64.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.411 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -79.35 -49.24 12.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.464 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -43.33 -53.99 4.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -57.17 -55.51 33.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -39.89 -57.75 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.9 mt -61.63 -56.94 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.493 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -40.71 -49.19 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.571 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.983 ' O ' HG23 ' A' ' 89' ' ' VAL . 33.5 mmt180 -58.18 -49.44 77.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.7 p -51.38 -41.77 60.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.756 HD21 ' CB ' ' A' ' 64' ' ' ARG . 74.0 mt -71.52 -45.03 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -8.48 38.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 85' ' ' ARG . 55.2 t -84.52 -50.67 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.58 -69.69 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.661 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 7.5 m-70 -82.33 64.45 7.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.627 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.449 ' O ' ' CB ' ' A' ' 96' ' ' SER . 3.6 p -84.58 -40.18 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.1 p -72.54 -16.71 61.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 56' ' ' LYS . 7.8 mm-40 -88.05 -61.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.601 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 18.5 m -58.64 -30.81 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 21.3 p -59.43 161.05 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.73 ' O ' HD13 ' A' ' 47' ' ' LEU . 6.7 tt0 85.32 0.68 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.796 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 66.6 p-90 -163.59 -44.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' TRP . 0.4 OUTLIER -37.62 -47.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.468 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 35.1 m -41.21 -42.93 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -62.58 -55.18 28.7 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.536 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 53.0 t -56.16 -47.95 79.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.51 ' HA ' HD12 ' A' ' 106' ' ' ILE . 3.5 tmtt? -46.81 -54.02 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -59.99 -48.4 81.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.539 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -42.35 -51.1 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 103' ' ' LYS . 34.1 mt -46.77 -61.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -46.61 -59.14 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -50.31 -67.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.67 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -42.12 -53.02 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.516 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 23.4 tttt -56.45 -54.18 48.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.36 -51.71 18.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.528 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 2.4 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mt -115.76 149.73 38.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.413 HD12 ' CD1' ' A' ' 52' ' ' TRP . 21.5 tt -57.85 -43.51 84.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -70.73 -6.43 37.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.87 -32.53 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.926 HG21 ' CH2' ' A' ' 52' ' ' TRP . 42.8 t -90.8 -22.43 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -89.68 -38.29 13.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -38.95 -52.34 3.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.581 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.93 -58.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 48' ' ' LEU . 11.7 mt -45.45 -27.55 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 19' ' ' LEU . 11.0 mt-10 -86.73 -46.61 9.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.433 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 6.2 pt20 -61.07 -29.45 69.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.795 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -68.11 -44.35 76.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.65 HD21 ' HB3' ' A' ' 42' ' ' SER . 17.7 tp -51.88 -60.9 2.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -44.73 -46.56 10.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.46 -37.27 75.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' THR . 62.4 m -75.53 -43.7 47.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.7 -25.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.093 . . . . 0.0 109.581 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.21 -34.28 10.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.565 1.166 . . . . 0.0 111.037 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 29' ' ' CYS . 79.9 t60 -101.44 -72.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 1.026 HG22 HG11 ' A' ' 37' ' ' VAL . 8.2 m -42.4 152.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HB2' HG12 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -55.79 -166.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -94.82 -59.75 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.36 -45.07 35.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 1.026 HG11 HG22 ' A' ' 33' ' ' THR . 2.6 p -48.61 -60.85 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.654 ' H ' HG13 ' A' ' 37' ' ' VAL . 49.0 t -47.72 -59.63 3.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 38' ' ' CYS . 20.3 t70 -39.62 -34.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -76.22 -60.02 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.439 HG21 HD12 ' A' ' 105' ' ' LEU . 89.9 mt -49.92 -58.2 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.65 ' HB3' HD21 ' A' ' 26' ' ' LEU . 89.9 p -47.08 -54.46 10.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -38.56 22.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.435 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 30.9 mmt180 -69.84 -44.01 70.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.441 HD12 HD22 ' A' ' 26' ' ' LEU . 10.5 mt -53.54 -55.74 22.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.17 -43.39 1.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.3 tt -67.11 -55.02 16.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.663 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 6.2 tp -42.57 -53.8 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -58.2 -51.64 68.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.344 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 54' ' ' GLY . 31.2 mm-40 -54.71 -55.57 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.62 -37.17 80.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.926 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.1 t-105 -66.0 -64.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 107.996 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -54.09 -59.15 5.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -38.6 -30.79 0.1 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 87.1 31.68 16.5 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.34 -26.36 22.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 52' ' ' TRP . 20.2 mt -75.72 160.23 30.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.531 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.8 OUTLIER -86.8 158.72 19.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.1 mt -63.2 -44.96 85.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -74.98 -2.63 12.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.62 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.3 t -90.69 -25.75 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.587 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 30.7 mttm -89.37 -41.36 12.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.34 80.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.614 ' HB3' HD11 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -73.82 -42.87 60.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.569 ' HE1' HD11 ' A' ' 22' ' ' LEU . 16.7 mmm -53.69 -58.81 5.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -38.76 -45.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.6 mt -51.46 -68.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.872 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -44.98 -43.12 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.872 ' N ' HD23 ' A' ' 68' ' ' LEU . 74.5 t -60.55 -50.65 79.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.458 ' HA ' HD12 ' A' ' 73' ' ' LEU . 86.3 mm-40 -53.71 -30.12 42.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.466 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 4.9 mm-40 -74.48 -43.18 57.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.496 HD12 HG12 ' A' ' 106' ' ' ILE . 2.8 tt -61.51 -25.29 67.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 70' ' ' GLN . 65.8 mt -75.59 -41.09 55.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.488 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 29.0 m170 -83.24 -2.44 55.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.518 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.7 m170 84.46 1.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.615 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' GLU . 29.4 mm-40 -71.38 59.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.518 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -54.21 -53.05 58.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -43.09 -52.81 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.466 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -57.29 -54.81 42.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.69 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -45.06 -51.12 10.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.54 -36.86 69.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 79' ' ' ALA . 1.3 t70 -60.69 -58.57 7.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.0 mt -59.37 -46.28 92.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.472 ' CB ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.1 -49.89 50.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.634 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.904 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.3 mmt85 -54.47 -52.38 62.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.6 p -48.42 -40.99 27.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.614 HD11 ' HB3' ' A' ' 64' ' ' ARG . 17.5 mt -71.76 -43.34 65.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -9.15 50.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 85' ' ' ARG . 71.8 t -80.55 -55.28 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -95.09 -69.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.668 ' O ' HG22 ' A' ' 95' ' ' VAL . 13.9 m-70 -75.85 60.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.571 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 93' ' ' THR . 6.0 p -84.91 -49.57 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.463 ' N ' HG13 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -67.53 -21.36 65.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.388 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -81.48 -61.49 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 91' ' ' HIS . 25.6 m -57.39 -38.63 63.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.1 p -48.75 174.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.82 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER 73.46 2.92 4.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.262 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.663 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 69.3 p-90 -167.72 -44.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 108.011 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.468 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -37.09 -47.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.958 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.435 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 28.8 m -42.34 -46.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -58.85 -48.51 85.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.098 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.531 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 68.3 t -61.53 -55.59 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 0.731 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -42.79 -50.15 5.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -62.76 -50.48 70.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.255 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.795 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -43.07 -59.76 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.325 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.571 HD11 HD11 ' A' ' 68' ' ' LEU . 40.1 mt -41.85 -59.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.3 -48.17 36.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -58.97 -64.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.403 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 6.9 mmmt -40.76 -48.2 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' SER . 14.7 tttm -57.95 -50.92 71.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' LYS . 0.1 OUTLIER -39.44 -54.16 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.538 ' CG2' ' HB2' ' A' ' 66' ' ' ALA . 3.0 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.0 mt -106.33 151.71 24.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.507 HD12 ' CD1' ' A' ' 52' ' ' TRP . 19.3 tt -61.91 -49.29 84.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.402 ' N ' HG23 ' A' ' 15' ' ' ILE . 1.9 mm-40 -65.92 -16.76 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.73 -33.6 30.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.915 HG21 ' CH2' ' A' ' 52' ' ' TRP . 63.4 t -89.3 -21.15 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -90.11 -37.0 14.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.591 1.182 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.486 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 2.6 mmt180 -38.87 -52.34 3.74 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 110.348 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.641 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.06 -58.0 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.751 HD13 ' CD2' ' A' ' 48' ' ' LEU . 21.1 mt -45.43 -28.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' LEU . 15.3 mt-10 -85.66 -46.07 11.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.435 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 5.8 pt20 -62.35 -28.83 70.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.591 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -71.24 -50.28 34.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.778 HD22 HD12 ' A' ' 45' ' ' LEU . 41.5 tp -46.14 -61.41 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.19 -45.96 5.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.56 -41.21 72.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 26' ' ' LEU . 82.0 m -70.43 -42.22 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 108.317 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -42.47 -54.57 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.415 ' O ' ' CD2' ' A' ' 32' ' ' HIS . . . -90.96 47.58 2.95 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.457 ' CG ' ' CD2' ' A' ' 112' ' ' LEU . 19.8 m-70 -167.29 -76.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.6 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.4 m -66.59 151.69 46.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.419 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.96 170.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -82.42 -48.07 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -50.9 -35.05 30.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.2 t -76.49 -54.64 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -41.54 64.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 108.344 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -31.68 72.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -71.41 -60.73 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 44' ' ' ARG . 29.4 mt -49.75 -61.21 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.775 ' HB3' HD21 ' A' ' 26' ' ' LEU . 39.4 p -42.24 -54.87 3.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.4 -34.84 1.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.447 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 3.9 mmt180 -71.55 -51.53 22.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.778 HD12 HD22 ' A' ' 26' ' ' LEU . 14.9 mt -43.02 -50.68 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.39 -45.05 35.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.751 HD13 ' O ' ' A' ' 97' ' ' GLN . 2.0 tt -68.69 -41.2 79.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.751 ' CD2' HD13 ' A' ' 22' ' ' LEU . 13.5 tp -55.14 -62.08 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 53' ' ' ALA . 68.1 ttt180 -51.17 -60.82 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -42.52 -54.57 3.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.47 ' HB3' HD21 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -60.76 -38.77 86.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.915 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.2 t90 -65.83 -66.83 0.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 49' ' ' ARG . . . -50.7 -59.11 4.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.04 -40.43 1.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.2 12.74 32.97 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -26.17 61.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 51' ' ' GLN . 46.0 mt -73.97 147.97 42.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.501 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -81.64 149.13 28.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.603 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.1 mt -55.36 -45.57 99.84 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.06 -5.63 17.01 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.519 1.8 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.582 HG23 ' ND1' ' A' ' 91' ' ' HIS . 2.2 t -92.13 -20.92 6.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.576 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 2.0 mttp -88.76 -47.85 7.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -29.33 67.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.565 ' HB3' HD11 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -77.12 -45.69 26.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.597 ' HE2' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -52.97 -58.31 7.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.538 ' HB2' ' CG2' ' A' ' 13' ' ' THR . . . -39.61 -35.45 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mt -62.01 -62.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.769 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.55 -34.05 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.769 ' N ' HD23 ' A' ' 68' ' ' LEU . 68.3 t -72.4 -60.06 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.69 ' HA ' HD12 ' A' ' 73' ' ' LEU . 38.0 mm-40 -41.28 -37.94 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 9.2 mm-40 -66.76 -51.22 58.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.521 HD12 HG12 ' A' ' 106' ' ' ILE . 2.0 tt -54.56 -27.28 37.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 70' ' ' GLN . 62.4 mt -70.59 -45.76 64.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.54 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -79.11 -1.73 37.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.616 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.54 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 1.7 m170 88.49 -3.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.642 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -66.1 73.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.528 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -68.43 -38.24 81.01 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -41.52 70.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -70.52 -51.27 29.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -40.04 -54.95 2.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -60.6 -45.82 92.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -45.12 -66.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.9 mt -54.23 -52.42 38.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.239 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.534 ' CG ' ' N ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -40.32 -70.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.59 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.714 ' O ' HG23 ' A' ' 89' ' ' VAL . 24.2 mmt180 -39.77 -63.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.1 m -47.27 -36.74 9.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.565 HD11 ' HB3' ' A' ' 64' ' ' ARG . 6.0 mt -71.29 -35.42 71.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.464 ' O ' ' CG ' ' A' ' 88' ' ' MET . 12.2 ttm -85.47 -9.35 57.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 85' ' ' ARG . 54.4 t -79.58 -58.31 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -86.21 -65.48 1.01 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.582 ' ND1' HG23 ' A' ' 61' ' ' VAL . 3.8 m-70 -79.99 61.54 3.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.642 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.414 HG23 ' HG3' ' A' ' 88' ' ' MET . 9.8 p -82.09 -24.03 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.56 -9.85 57.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.449 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -103.76 -56.08 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 95' ' ' VAL . 1.8 m -83.42 52.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' ' 97' ' ' GLN . 4.8 p -132.07 159.13 39.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.751 ' O ' HD13 ' A' ' 47' ' ' LEU . 69.0 mt-30 74.54 12.49 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.589 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.4 p-90 -163.4 -48.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 95' ' ' VAL . 28.8 tpp -37.54 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.061 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 98' ' ' TRP . 27.3 m -56.31 -49.39 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.4 -63.99 4.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.469 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 73.2 t -40.01 -53.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.8 tttm -42.0 -49.47 4.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 101' ' ' GLY . 15.4 tpp180 -66.78 -50.7 61.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.591 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -42.33 -56.13 3.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.521 HG12 HD12 ' A' ' 72' ' ' LEU . 23.5 mt -44.9 -58.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.03 -52.18 45.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -55.14 -61.82 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.616 ' HA ' HD12 ' A' ' 112' ' ' LEU . 12.4 mmmt -45.81 -48.24 15.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.518 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 60.9 tttt -55.44 -59.14 5.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.07 -52.73 8.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 109' ' ' LYS . 55.5 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.532 HG21 ' HB2' ' A' ' 66' ' ' ALA . 43.4 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mt -103.89 155.13 18.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.575 HD12 ' CD1' ' A' ' 52' ' ' TRP . 16.0 tt -64.73 -38.17 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -78.42 -6.22 54.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.256 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.92 -33.74 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.84 HG21 ' CH2' ' A' ' 52' ' ' TRP . 40.9 t -88.82 -19.2 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -89.5 -41.23 12.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.471 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -37.69 -53.09 2.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.569 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.02 -54.74 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.76 HD13 ' CD2' ' A' ' 48' ' ' LEU . 9.2 mt -45.04 -32.12 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -82.16 -42.79 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 3.3 mm-40 -53.8 -43.3 69.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.833 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -61.55 -43.13 99.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.87 HD22 HD12 ' A' ' 45' ' ' LEU . 29.0 tp -50.83 -64.73 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -41.07 -40.88 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -54.81 37.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.9 m -60.88 -46.17 91.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 108.329 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.18 -41.7 8.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.579 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.21 44.9 1.38 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.499 ' HB3' HD21 ' A' ' 112' ' ' LEU . 25.4 m-70 -164.76 -67.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.75 . . . . 0.0 109.599 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.401 HG22 ' HB ' ' A' ' 37' ' ' VAL . 1.2 m -72.49 153.86 41.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.43 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HB2' HG23 ' A' ' 37' ' ' VAL . 22.4 mtpt -44.19 123.53 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -43.75 -48.95 8.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -49.59 -51.51 36.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.452 HG23 ' HB2' ' A' ' 34' ' ' LYS . 89.1 t -57.67 -53.18 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.9 t -48.15 -56.45 7.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 108.342 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -46.92 -44.37 19.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -64.61 -43.09 94.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.69 -56.91 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.834 ' HB3' HD21 ' A' ' 26' ' ' LEU . 1.8 p -49.76 -39.16 36.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -36.3 63.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.462 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 4.7 mmt180 -71.27 -49.11 46.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.87 HD12 HD22 ' A' ' 26' ' ' LEU . 10.7 mt -49.81 -55.2 15.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.08 -46.01 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 97' ' ' GLN . 3.9 tt -66.98 -55.68 13.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.76 ' CD2' HD13 ' A' ' 22' ' ' LEU . 2.6 tp -40.29 -55.06 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -57.3 -48.27 79.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 54' ' ' GLY . 2.3 mt-10 -54.41 -57.63 10.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.81 -38.49 82.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.84 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.1 t90 -64.49 -64.06 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -55.13 -59.78 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.36 -38.3 0.25 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.0 33.53 6.0 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -95.0 -33.96 12.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.9 mt -64.05 152.07 41.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.555 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -80.79 158.39 25.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.978 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.645 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 6.0 mm -65.5 -43.41 62.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -75.04 -2.61 12.76 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.524 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.7 t -90.28 -25.39 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.582 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 30.1 mttt -88.71 -42.51 11.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -34.94 75.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -44.81 27.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.452 ' CE ' HD11 ' A' ' 22' ' ' LEU . 18.9 mmm -51.2 -59.18 4.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.532 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -39.67 -40.72 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.0 mt -54.32 -64.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.832 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -49.6 -43.36 46.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.832 ' N ' HD23 ' A' ' 68' ' ' LEU . 49.9 t -59.26 -59.77 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -43.86 -42.31 5.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.461 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 9.1 mm-40 -64.27 -53.96 40.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.416 HD12 HG12 ' A' ' 106' ' ' ILE . 3.4 tt -48.23 -36.13 13.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.55 -48.24 73.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -75.74 -1.77 26.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.583 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.2 m170 79.05 10.19 1.64 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 109.595 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -76.55 55.22 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.564 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 0.9 OUTLIER -48.13 -53.29 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 107.998 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 77' ' ' TRP . 3.1 t0 -40.56 -42.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.461 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -71.96 -50.38 29.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.78 -52.85 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.53 -51.16 71.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -43.21 -61.66 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.472 HD13 ' N ' ' A' ' 68' ' ' LEU . 5.9 mt -58.45 -52.38 60.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.552 ' HB2' HD12 ' A' ' 68' ' ' LEU . 2.8 t-80 -42.43 -59.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.62 ' O ' HG23 ' A' ' 89' ' ' VAL . 21.6 mmt85 -48.42 -51.14 28.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.5 m -47.98 -43.08 29.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.98 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 91' ' ' HIS . 38.2 mt -70.34 -33.49 71.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.414 ' HG3' ' NE2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -76.11 -9.06 58.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 85' ' ' ARG . 56.3 t -79.99 -55.27 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -95.62 -68.93 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.541 ' O ' HG13 ' A' ' 95' ' ' VAL . 8.7 m-70 -81.69 64.1 6.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.604 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.405 ' CG1' ' N ' ' A' ' 93' ' ' THR . 2.8 p -82.24 -45.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.405 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -70.09 -54.32 13.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -44.19 -53.62 6.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 91' ' ' HIS . 13.6 m -65.58 -34.21 68.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.418 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 2.2 p -49.85 167.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.434 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.0 tt0 79.99 0.02 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.536 ' HZ3' HG21 ' A' ' 102' ' ' VAL . 68.9 p-90 -166.15 -43.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.423 ' HE2' ' HB ' ' A' ' 95' ' ' VAL . 32.1 tpp -36.75 -32.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 101' ' ' GLY . 28.7 m -55.44 -51.53 56.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.491 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -52.02 -59.98 8.13 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.536 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 98.5 t -43.37 -54.89 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -42.89 -60.36 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -55.67 -51.77 66.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.833 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -43.19 -58.67 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.416 HG12 HD12 ' A' ' 72' ' ' LEU . 48.0 mt -41.34 -64.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.62 -53.9 5.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -52.18 -65.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.809 ' HA ' HD12 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -42.38 -48.85 5.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.564 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 1.6 ttpt -58.85 -62.45 1.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t -43.19 -49.44 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.039 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.809 HD12 ' HA ' ' A' ' 109' ' ' LYS . 13.1 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.428 HG21 ' HB2' ' A' ' 66' ' ' ALA . 2.0 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mt -99.38 147.63 25.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.346 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.471 HD12 ' CD1' ' A' ' 52' ' ' TRP . 15.3 tt -65.75 -40.07 86.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.21 -6.61 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.57 -25.52 15.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.945 HG21 ' CH2' ' A' ' 52' ' ' TRP . 88.9 t -96.11 -22.6 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.92 -22.42 19.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.513 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -59.41 -51.14 83.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.6 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.98 -43.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.661 HD12 ' O ' ' A' ' 18' ' ' VAL . 32.5 mt -51.28 -46.91 62.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -68.51 -41.07 80.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.468 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 8.3 mm-40 -54.18 -28.75 42.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.792 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -77.64 -44.85 26.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.857 HD21 ' HB3' ' A' ' 42' ' ' SER . 21.2 tp -57.61 -67.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -36.49 -37.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.96 -52.29 13.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.687 ' SG ' HD12 ' A' ' 26' ' ' LEU . 3.1 p -51.4 -33.13 28.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.332 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -39.99 -60.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.587 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.43 ' O ' ' CD2' ' A' ' 32' ' ' HIS . . . -89.76 49.1 3.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.622 ' CG ' HD21 ' A' ' 112' ' ' LEU . 22.7 m-70 -164.81 -71.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.613 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' CYS . 11.4 m -70.93 146.63 49.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.446 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.63 156.08 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -64.74 -60.02 3.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.413 ' N ' ' HD2' ' A' ' 35' ' ' LYS . 43.0 mt-30 -38.94 -45.69 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.537 HG12 HD12 ' A' ' 41' ' ' ILE . 98.6 t -67.35 -52.94 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.6 t -51.5 -54.8 23.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.317 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -52.75 -37.57 59.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -68.37 -59.49 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.674 HG21 HD12 ' A' ' 105' ' ' LEU . 32.6 mt -50.13 -59.34 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.235 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.857 ' HB3' HD21 ' A' ' 26' ' ' LEU . 48.4 p -45.16 -54.33 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -48.23 -41.14 26.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.262 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.402 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 64.2 mmt-85 -66.41 -30.05 70.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.552 HD12 HD22 ' A' ' 26' ' ' LEU . 22.5 mt -67.05 -57.0 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.13 -28.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.931 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.3 tt -79.41 -62.81 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.529 HD13 ' CH2' ' A' ' 98' ' ' TRP . 12.6 tp -42.21 -33.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -75.75 -44.07 43.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.5 pt-20 -67.05 -42.34 84.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.532 ' HG3' HD23 ' A' ' 47' ' ' LEU . 63.4 mt-30 -69.31 -39.42 78.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.945 ' CH2' HG21 ' A' ' 18' ' ' VAL . 1.8 t90 -64.76 -57.67 8.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.013 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -63.53 -58.97 5.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.27 -31.57 0.07 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 93.07 24.62 22.0 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -92.13 -6.4 50.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.745 HD12 ' CA ' ' A' ' 52' ' ' TRP . 88.5 mt -96.4 137.85 34.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.518 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -72.63 158.68 35.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.986 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 3.6 mt -61.96 -45.34 91.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -74.95 -3.27 13.67 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.432 HG22 ' CG ' ' A' ' 91' ' ' HIS . 2.6 t -90.72 -25.84 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.585 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 6.5 mttt -87.46 -41.58 13.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -37.2 83.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.6 ' HB3' HD11 ' A' ' 87' ' ' LEU . 2.0 mtt180 -73.69 -26.14 60.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.518 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -73.23 -54.78 7.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.428 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -49.45 -38.12 28.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 67' ' ' LEU . 25.6 mt -53.9 -65.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.932 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.61 -41.61 22.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.932 ' N ' HD23 ' A' ' 68' ' ' LEU . 50.6 t -61.7 -63.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.574 ' HA ' HD12 ' A' ' 73' ' ' LEU . 36.7 mm-40 -38.7 -39.14 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.496 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 8.2 mm-40 -68.74 -52.55 29.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.479 HD21 ' HE2' ' A' ' 109' ' ' LYS . 1.3 tt -50.39 -27.53 6.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' A' ' 70' ' ' GLN . 57.1 mt -71.05 -48.7 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.463 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 10.1 m-70 -76.09 -1.86 28.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.625 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.495 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.4 m170 85.57 -2.81 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.582 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -65.41 73.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.1 m95 -67.46 -38.96 85.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.038 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.23 -38.08 65.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.496 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -74.28 -50.32 19.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.99 -52.09 5.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -51.35 69.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -45.74 -54.1 8.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 64' ' ' ARG . 9.6 mt -65.61 -49.95 74.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.609 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -49.76 -37.98 32.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.554 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.589 ' O ' HG23 ' A' ' 89' ' ' VAL . 17.5 mmt85 -69.92 -53.35 18.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.4 m -48.5 -30.05 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.6 HD11 ' HB3' ' A' ' 64' ' ' ARG . 9.2 mt -77.56 -42.73 34.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -9.1 40.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 85' ' ' ARG . 71.6 t -76.91 -61.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -94.18 -69.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.606 ' O ' HG13 ' A' ' 95' ' ' VAL . 4.3 m-70 -76.57 60.34 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.635 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.8 p -79.16 -43.87 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.16 -52.85 14.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -45.46 -54.02 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 91' ' ' HIS . 13.3 m -64.65 -32.55 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 p -53.35 171.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.931 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.8 mt-30 75.58 1.59 3.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.604 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 69.6 p-90 -166.35 -44.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.027 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 33.8 tpp -37.97 -50.11 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.9 m -41.87 -43.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -62.27 -71.02 0.88 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 101' ' ' GLY . 81.9 t -40.13 -52.89 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -57.42 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -57.18 -49.57 75.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.792 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -41.35 -58.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.77 HD11 HD11 ' A' ' 68' ' ' LEU . 41.0 mt -41.26 -63.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.18 -55.82 3.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -51.1 -61.15 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.54 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 28.9 mmmt -44.59 -54.19 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -50.96 -49.87 59.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.42 -53.73 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.622 HD21 ' CG ' ' A' ' 32' ' ' HIS . 86.9 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.636 HG21 ' HB2' ' A' ' 66' ' ' ALA . 3.4 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.445 -0.205 . . . . 0.0 110.445 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -84.08 139.95 32.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.577 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 13.9 tt -61.33 -41.24 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.495 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 2.5 mm-40 -67.02 -20.93 65.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.14 -29.5 48.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.961 HG21 ' CH2' ' A' ' 52' ' ' TRP . 37.2 t -91.21 -19.46 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -92.57 -30.14 15.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -48.74 -51.71 51.43 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.671 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.3 Cg_endo -75.01 -50.94 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.536 ' CD1' HD21 ' A' ' 48' ' ' LEU . 10.8 mt -46.51 -40.57 12.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -73.97 -44.57 54.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -51.5 -43.95 62.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.501 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -61.93 -50.09 73.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 42' ' ' SER . 18.4 tp -51.16 -57.52 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -39.97 -38.51 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.87 -48.97 32.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' THR . 61.4 m -58.83 -52.75 64.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.267 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.88 -31.17 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.547 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.81 35.41 4.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -160.8 -63.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 0.742 . . . . 0.0 109.574 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.498 ' CG2' ' OE2' ' A' ' 108' ' ' GLU . 3.4 m -68.43 166.07 17.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.422 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' N ' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -51.5 171.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -44.36 12.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -69.98 -30.97 68.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.1 t -75.57 -40.73 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 9.0 t -65.93 -52.47 49.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 108.321 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -34.37 57.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -65.48 -47.75 75.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.8 mt -58.41 -56.99 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.784 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -47.93 -47.94 32.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -46.8 -40.29 13.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.466 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 4.3 mmt180 -70.07 -50.49 40.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.687 HD12 HD22 ' A' ' 26' ' ' LEU . 13.2 mt -49.05 -53.83 18.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.25 -46.27 4.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.426 HD21 ' HG3' ' A' ' 51' ' ' GLN . 3.6 tt -69.63 -55.97 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.536 HD21 ' CD1' ' A' ' 22' ' ' LEU . 2.8 tp -40.48 -52.42 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.584 ' HB2' HD11 ' A' ' 19' ' ' LEU . 10.8 ttt180 -61.95 -64.72 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -40.78 -50.76 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.426 ' HG3' HD21 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -62.04 -40.81 97.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.961 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.0 t90 -63.17 -62.18 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 108.041 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -54.53 -59.83 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -37.6 -36.38 0.27 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.25 25.98 10.59 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -85.37 -32.29 22.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 0.727 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 52' ' ' TRP . 46.6 mt -70.91 142.9 51.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.518 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -77.33 159.14 29.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.788 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 3.5 mt -60.21 -45.99 97.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.97 -6.12 17.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.555 HG22 ' CG ' ' A' ' 91' ' ' HIS . 6.4 t -89.38 -21.25 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.589 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -91.48 -43.49 9.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.788 ' NZ ' HG22 ' A' ' 59' ' ' ILE . 3.6 mtmt -54.89 -35.97 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.444 ' HB3' HD11 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -75.3 -35.63 61.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.49 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.61 -54.85 33.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.636 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -51.35 -37.88 50.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.4 mt -58.42 -67.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.828 HD12 ' O ' ' A' ' 80' ' ' ALA . 5.2 tt -42.36 -42.67 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.671 HG11 ' HG2' ' A' ' 21' ' ' PRO . 59.1 t -62.09 -51.37 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -49.03 -30.53 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.546 ' CD ' ' HB1' ' A' ' 79' ' ' ALA . 4.3 mm-40 -78.05 -41.42 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.568 HD21 ' HG3' ' A' ' 109' ' ' LYS . 0.8 OUTLIER -62.89 -21.39 65.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' A' ' 21' ' ' PRO . 96.9 mt -79.22 -37.29 38.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -87.17 -2.55 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.607 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.3 m170 79.94 11.38 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.63 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 22.9 mm-40 -79.73 52.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.505 ' CG ' ' HB2' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -43.66 -55.02 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 107.977 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.24 -53.19 5.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.546 ' HB1' ' CD ' ' A' ' 71' ' ' GLU . . . -59.29 -51.64 69.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.828 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -47.82 -46.61 31.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -55.88 29.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -40.03 -52.13 2.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.455 HD13 ' N ' ' A' ' 68' ' ' LEU . 18.2 mt -59.01 -60.44 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.48 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -40.17 -48.33 2.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.575 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 88' ' ' MET . 15.4 mmt180 -54.13 -54.26 41.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.1 m -48.39 -35.9 13.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.466 ' HB3' HG11 ' A' ' 95' ' ' VAL . 7.7 mt -72.2 -33.21 67.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.441 ' O ' ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -74.95 -7.95 55.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 79.3 t -79.63 -58.04 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -95.67 -70.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.659 ' O ' HG22 ' A' ' 95' ' ' VAL . 1.7 m-70 -79.37 63.72 4.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.591 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 88' ' ' MET . 2.1 p -86.05 -16.15 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 96' ' ' SER . 1.0 OUTLIER -95.52 -61.98 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.469 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -43.65 -52.84 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' ' 91' ' ' HIS . 15.7 m -62.2 -35.16 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.479 ' O ' ' CD1' ' A' ' 98' ' ' TRP . 1.1 p -51.66 178.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 96' ' ' SER . 0.9 OUTLIER 69.16 3.84 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.712 ' HZ3' HG21 ' A' ' 102' ' ' VAL . 68.9 p-90 -167.96 -42.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.01 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.483 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -35.83 -34.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 101' ' ' GLY . 18.4 m -57.25 -53.62 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.551 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -48.72 -55.78 10.73 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.712 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 61.3 t -46.18 -53.64 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -46.58 -46.23 19.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -65.74 -52.27 52.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.501 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -46.82 -51.86 15.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.518 HD11 HD11 ' A' ' 68' ' ' LEU . 76.3 mt -51.1 -63.96 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.37 -45.68 55.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.498 ' OE2' ' CG2' ' A' ' 33' ' ' THR . 2.5 mt-10 -55.94 -61.95 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.568 ' HG3' HD21 ' A' ' 72' ' ' LEU . 9.8 mmmt -45.24 -58.29 3.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.505 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 2.1 ttpm? -50.97 -51.7 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.6 -55.27 9.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.8 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.512 HG21 ' HB2' ' A' ' 66' ' ' ALA . 2.0 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.1 mt -99.97 148.59 24.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.357 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.561 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 16.5 tt -60.48 -46.26 95.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.497 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 39.3 mt-10 -67.39 -19.68 65.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.06 -29.43 43.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.971 HG21 ' CH2' ' A' ' 52' ' ' TRP . 43.7 t -93.39 -18.61 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -92.75 -28.41 16.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.505 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -51.3 -51.28 70.15 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.762 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.4 Cg_endo -75.0 -50.04 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.546 1.814 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.727 HD13 ' CD2' ' A' ' 48' ' ' LEU . 10.5 mt -47.7 -42.03 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.21 -42.72 59.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -53.28 -42.95 67.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.628 ' HB1' ' HD3' ' A' ' 109' ' ' LYS . . . -62.1 -53.85 49.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.86 HD21 ' HB3' ' A' ' 42' ' ' SER . 29.9 tp -41.9 -53.91 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -43.08 -44.18 4.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -63.8 -53.35 52.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' THR . 88.9 m -55.97 -43.87 77.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 108.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.17 -62.36 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.635 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -91.3 49.2 2.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -163.37 -70.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 109.616 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' CYS . 2.5 m -71.02 155.78 40.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm -46.6 164.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -71.93 -57.9 3.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.51 -59.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.7 t -48.5 -57.98 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.0 t -50.14 -52.76 32.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.42 -40.81 60.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -68.49 -62.19 1.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.4 mt -41.86 -51.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.86 ' HB3' HD21 ' A' ' 26' ' ' LEU . 48.1 p -60.01 -46.53 89.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.7 -36.64 25.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.467 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 4.2 mmt180 -70.91 -46.38 62.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.523 HD12 HD22 ' A' ' 26' ' ' LEU . 15.3 mt -47.24 -54.75 10.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.03 -24.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.81 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.4 tt -85.73 -60.47 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.727 ' CD2' HD13 ' A' ' 22' ' ' LEU . 11.0 tp -43.54 -34.74 1.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 -73.75 -41.03 63.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.8 pt-20 -68.29 -41.17 81.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.417 ' N ' ' CG ' ' A' ' 50' ' ' GLU . 49.7 mt-30 -71.32 -38.68 71.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.971 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.2 t-105 -66.19 -57.91 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 108.029 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -64.84 -58.26 6.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.66 -32.27 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 91.97 21.01 34.52 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -9.69 53.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.4 mt -89.07 153.43 20.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.631 ' OG ' HG23 ' A' ' 61' ' ' VAL . 13.5 p -90.33 156.74 18.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.0 mt -58.95 -45.66 99.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.99 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.631 HG23 ' OG ' ' A' ' 58' ' ' SER . 1.9 t -90.92 -25.81 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.602 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 5.2 mttt -87.71 -40.21 14.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -38.5 91.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -74.75 -27.35 60.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.515 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -70.6 -55.08 9.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.957 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.512 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -51.09 -39.2 55.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.423 ' HB3' HD13 ' A' ' 83' ' ' ILE . 30.1 mt -52.85 -65.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.014 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.09 -41.36 17.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.014 ' N ' HD23 ' A' ' 68' ' ' LEU . 50.9 t -62.17 -63.97 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 69' ' ' VAL . 85.3 mm-40 -38.17 -40.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.348 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 8.2 mm-40 -67.2 -53.04 34.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tt -52.11 -31.3 30.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.762 HD21 ' HB3' ' A' ' 21' ' ' PRO . 77.5 mt -65.55 -47.8 74.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.512 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 6.8 m170 -76.64 -1.77 29.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.589 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.516 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 3.2 m170 89.0 -7.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -61.64 83.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.516 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -77.82 -31.03 51.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -35.74 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -77.38 -49.27 15.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.84 -52.64 6.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.28 -52.87 62.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -42.9 -49.3 5.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.423 HD13 ' HB3' ' A' ' 67' ' ' LEU . 16.6 mt -70.55 -54.91 16.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.616 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -43.72 -42.48 5.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.581 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.739 ' O ' HG23 ' A' ' 89' ' ' VAL . 7.2 mmt180 -65.74 -46.37 79.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.1 m -55.06 -28.31 51.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.443 ' HB3' HG11 ' A' ' 95' ' ' VAL . 9.5 mt -78.27 -42.72 30.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.459 ' SD ' HG21 ' A' ' 95' ' ' VAL . 98.6 mmm -68.07 -8.34 37.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 85' ' ' ARG . 68.8 t -79.13 -60.14 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -95.75 -69.61 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.517 ' ND1' HG23 ' A' ' 61' ' ' VAL . 6.5 m-70 -77.8 64.65 3.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.599 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.418 HG23 ' HA ' ' A' ' 88' ' ' MET . 2.0 p -91.72 -30.71 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -83.9 -19.22 35.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -81.95 -61.59 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.536 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 24.0 m -55.24 -40.27 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 66.5 p -45.79 163.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.81 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.9 tt0 84.62 -0.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.583 ' CH2' HD13 ' A' ' 48' ' ' LEU . 69.0 p-90 -165.51 -44.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 108.062 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' TRP . 29.8 tpp -36.35 -36.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.467 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 27.5 m -48.95 -50.16 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -59.2 -61.79 6.92 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.422 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 75.5 t -48.97 -52.12 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 0.743 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.23 -54.74 4.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.424 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -60.01 -47.93 83.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.516 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -40.88 -57.93 1.83 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 65.3 mt -41.12 -66.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.66 -54.16 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -53.08 -64.06 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.628 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 4.9 mmmt -42.66 -59.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.421 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 11.4 tttm -52.79 -47.76 67.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.81 -51.28 40.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.8 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -105.34 141.88 36.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.41 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 8.7 tt -59.96 -39.15 79.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.37 -9.21 39.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.93 -22.76 15.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.951 HG21 ' CH2' ' A' ' 52' ' ' TRP . 57.5 t -96.16 -22.21 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.55 -36.41 13.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 2.2 mmt180 -44.41 -51.22 20.74 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.87 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.0 -52.32 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.72 HD13 ' CD2' ' A' ' 48' ' ' LEU . 13.6 mt -48.13 -38.97 19.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.06 -40.69 64.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 6.4 mm-40 -53.69 -25.4 18.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.932 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -76.9 -51.96 10.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 42' ' ' SER . 27.0 tp -43.64 -66.74 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.84 -48.64 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -43.01 73.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LEU . 59.9 m -65.74 -44.52 85.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -54.23 -20.91 7.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.637 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.18 22.3 25.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.436 ' CG ' HD22 ' A' ' 112' ' ' LEU . 44.2 m-70 -156.96 -70.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 109.643 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 1.121 HG22 HG11 ' A' ' 37' ' ' VAL . 6.6 m -58.09 156.01 10.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HB2' HG12 ' A' ' 37' ' ' VAL . 1.7 mmpt? -55.47 -166.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -92.37 -66.71 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -42.38 -42.46 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 1.121 HG11 HG22 ' A' ' 33' ' ' THR . 5.6 p -58.17 -57.37 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.549 ' H ' HG13 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -56.63 -53.36 58.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 108.269 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -45.29 -31.04 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.66 -64.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.956 HG21 HD12 ' A' ' 105' ' ' LEU . 39.2 mt -45.81 -59.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.585 ' HB3' HD21 ' A' ' 26' ' ' LEU . 35.0 p -46.38 -48.91 18.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -35.39 61.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.464 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 19.1 mmt180 -74.78 -33.53 62.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.486 HD12 HD22 ' A' ' 26' ' ' LEU . 9.1 mt -62.91 -58.1 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.03 -41.71 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.009 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.3 tt -69.09 -54.14 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.735 HD13 ' CH2' ' A' ' 98' ' ' TRP . 7.2 tp -40.6 -44.85 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -67.99 -49.14 63.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 54' ' ' GLY . 38.3 mt-10 -55.6 -50.21 70.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -66.07 -37.69 86.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.951 ' CH2' HG21 ' A' ' 18' ' ' VAL . 1.8 t-105 -65.61 -63.59 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -58.14 -56.33 23.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -35.99 -37.71 0.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.75 4.39 48.85 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.403 ' O ' ' CD ' ' A' ' 94' ' ' GLU . 2.0 mmmt -66.23 -23.28 66.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' A' ' 52' ' ' TRP . 81.0 mt -82.62 145.96 29.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.636 ' OG ' HG23 ' A' ' 61' ' ' VAL . 15.3 p -81.04 157.45 25.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.613 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.3 mt -59.4 -45.56 98.97 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.04 -3.46 13.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.657 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.0 t -90.99 -26.56 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.595 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 4.5 mttt -86.54 -41.47 14.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -35.97 80.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.431 ' O ' HG21 ' A' ' 83' ' ' ILE . 2.1 mtt180 -72.8 -43.62 62.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.608 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -53.98 -58.61 6.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.28 -37.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.508 ' HB2' HG21 ' A' ' 83' ' ' ILE . 9.6 mt -58.04 -62.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.836 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -48.67 -39.74 25.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.836 ' N ' HD23 ' A' ' 68' ' ' LEU . 42.4 t -62.49 -64.34 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.417 ' HA ' HD12 ' A' ' 73' ' ' LEU . 33.9 mm-40 -37.98 -39.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.433 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 8.7 mm-40 -69.95 -52.72 22.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tt -52.54 -23.79 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.87 HD21 ' HB3' ' A' ' 21' ' ' PRO . 89.4 mt -73.86 -47.84 35.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 13.2 m170 -77.08 -2.04 32.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.6 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 74' ' ' HIS . 1.4 m170 88.62 -5.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.26 80.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.51 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.1 m95 -74.87 -32.73 61.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 108.01 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -60.71 -37.28 81.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.433 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -74.22 -49.84 21.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.409 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -47.73 -49.77 27.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.92 -38.97 80.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -57.83 -60.61 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.508 HG21 ' HB2' ' A' ' 67' ' ' LEU . 5.1 mt -59.92 -37.47 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.482 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -59.65 -42.34 92.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.602 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.988 ' O ' HG23 ' A' ' 89' ' ' VAL . 22.9 mmt180 -60.35 -53.14 61.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -53.29 -45.39 68.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 110.031 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 mt -64.34 -37.45 87.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.519 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -80.32 -8.85 59.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 85' ' ' ARG . 78.6 t -87.01 -43.36 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -95.4 -69.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.657 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 1.9 m-70 -90.25 66.16 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 88' ' ' MET . 1.5 p -78.83 -18.68 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.433 ' O ' ' CB ' ' A' ' 96' ' ' SER . 40.2 p -89.44 -60.29 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 56' ' ' LYS . 5.9 mm-40 -43.55 -55.25 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.603 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 14.6 m -60.21 -32.72 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.463 ' O ' ' CD1' ' A' ' 98' ' ' TRP . 1.4 p -54.01 172.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 1.009 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.3 mt-30 73.31 7.59 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.735 ' CH2' HD13 ' A' ' 48' ' ' LEU . 64.7 p-90 -171.74 -42.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.507 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -36.51 -48.96 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.971 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.464 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 29.0 m -40.0 -46.28 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -59.42 -64.88 3.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.715 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 88.5 t -40.65 -54.19 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.659 ' HA ' HD12 ' A' ' 106' ' ' ILE . 25.6 tttm -44.67 -51.3 9.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -64.15 -55.15 23.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.956 HD12 HG21 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -42.59 -49.84 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 103' ' ' LYS . 44.0 mt -46.33 -67.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.25 -47.91 46.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.701 ' OE2' HD11 ' A' ' 41' ' ' ILE . 23.7 mt-10 -51.48 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.501 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 22.4 mmmt -40.94 -54.04 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.491 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 74.9 tttt -51.52 -49.08 62.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.94 -49.27 15.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.436 HD22 ' CG ' ' A' ' 32' ' ' HIS . 35.1 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.725 HG21 ' HB2' ' A' ' 66' ' ' ALA . 2.0 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.456 -0.201 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mt -107.39 149.0 28.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.573 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 16.5 tt -56.57 -48.85 79.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 47.1 mt-10 -65.46 -10.13 31.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.23 -23.08 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.969 HG21 ' CH2' ' A' ' 52' ' ' TRP . 99.8 t -96.03 -22.63 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.02 -34.1 13.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.541 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 1.1 mmt85 -45.45 -49.14 34.88 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.728 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.2 Cg_endo -75.02 -59.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.502 HD11 ' CE ' ' A' ' 65' ' ' MET . 21.2 mt -45.17 -33.96 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -68.01 -55.2 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.489 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -46.6 -24.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.598 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -74.55 -58.12 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.718 HD11 ' HB3' ' A' ' 42' ' ' SER . 33.2 tp -42.3 -65.91 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' OE2' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -46.29 -42.85 15.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.453 ' N ' ' OE2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -64.03 -37.77 88.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.7 m -69.74 -48.86 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.306 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -48.72 -35.15 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.543 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.43 36.23 4.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -167.29 -76.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.603 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -60.9 153.58 24.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -48.51 172.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.62 -61.6 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -41.79 -39.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.03 -56.55 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -52.36 -51.01 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.352 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -49.08 -42.8 40.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.32 -63.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.709 HG21 HD12 ' A' ' 105' ' ' LEU . 14.8 mt -41.95 -65.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.718 ' HB3' HD11 ' A' ' 26' ' ' LEU . 78.8 p -43.74 -55.59 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -35.81 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 20.6 mmt-85 -74.39 -49.94 20.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.417 HD12 HD22 ' A' ' 26' ' ' LEU . 19.2 mt -48.46 -51.08 28.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.34 -30.71 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 97' ' ' GLN . 4.4 tt -79.24 -61.63 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.585 HD13 ' CZ2' ' A' ' 98' ' ' TRP . 14.6 tp -40.92 -35.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -74.28 -45.41 47.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.6 pt-20 -64.33 -39.75 94.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.483 ' HG3' HD23 ' A' ' 47' ' ' LEU . 56.5 mt-30 -71.63 -36.95 70.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.969 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.1 t90 -67.12 -56.05 11.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -66.52 -57.25 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.08 -33.65 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 93.86 28.87 10.44 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -96.46 -12.24 24.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 0.733 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 52' ' ' TRP . 94.6 mt -88.58 144.56 26.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.533 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -83.76 152.36 24.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.973 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.9 mt -56.77 -45.24 99.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.02 -5.07 16.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.484 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 1.0 OUTLIER -91.11 -17.97 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.612 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -93.93 -50.55 5.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -28.77 52.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.506 ' O ' HG21 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -81.86 -37.27 27.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.502 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -61.76 -60.54 3.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.725 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -38.8 -35.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.605 ' HB2' HG21 ' A' ' 83' ' ' ILE . 10.0 mt -53.22 -63.24 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.852 HD12 ' O ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -49.81 -42.07 46.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.546 HG11 ' HG2' ' A' ' 21' ' ' PRO . 41.4 t -60.82 -63.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.6 ' HA ' HD12 ' A' ' 73' ' ' LEU . 67.5 mm-40 -37.73 -37.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.467 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 7.9 mm-40 -71.44 -51.23 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 69' ' ' VAL . 2.0 tt -52.48 -21.39 3.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.728 HD21 ' HB3' ' A' ' 21' ' ' PRO . 76.5 mt -76.47 -47.8 21.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.491 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 7.8 m170 -78.0 -1.95 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.535 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.7 m170 86.44 -2.17 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.598 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -65.69 72.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.535 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -67.86 -37.21 81.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 108.012 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.27 -32.15 64.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.467 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -80.75 -49.21 11.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.852 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -42.57 -49.3 5.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -64.84 -42.43 94.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.29 -58.21 5.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.605 HG21 ' HB2' ' A' ' 67' ' ' LEU . 4.1 mt -63.31 -50.26 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.474 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -44.8 -50.54 10.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.604 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.605 ' O ' HG23 ' A' ' 89' ' ' VAL . 23.7 mmt180 -55.29 -63.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.8 m -46.53 -36.54 6.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' A' ' 64' ' ' ARG . 3.5 mt -71.96 -35.73 69.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.804 ' HG3' HG23 ' A' ' 92' ' ' VAL . 11.5 ttm -81.16 -9.25 59.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 85' ' ' ARG . 55.2 t -76.69 -53.52 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -95.38 -68.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.486 ' O ' HG22 ' A' ' 95' ' ' VAL . 33.0 m-70 -75.58 62.2 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.573 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.804 HG23 ' HG3' ' A' ' 88' ' ' MET . 2.7 p -88.37 -25.99 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -87.06 -9.65 54.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.401 ' OE1' ' OG ' ' A' ' 58' ' ' SER . 8.5 mt-10 -97.61 -61.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.356 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 11.6 m -55.93 -43.59 75.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 28.9 p -46.04 160.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.62 ' O ' HD13 ' A' ' 47' ' ' LEU . 4.6 tt0 86.53 0.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.633 ' HZ3' HG21 ' A' ' 102' ' ' VAL . 69.4 p-90 -166.15 -43.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -34.84 -42.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.461 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 24.9 m -44.22 -50.25 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -54.91 -58.53 13.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.633 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 92.7 t -47.92 -53.35 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -42.02 -49.13 4.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -70.41 -50.48 38.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.709 HD12 HG21 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -40.77 -52.53 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.682 HD11 HD11 ' A' ' 68' ' ' LEU . 34.1 mt -46.13 -70.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -44.94 -50.11 10.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.686 ' OE2' HD11 ' A' ' 41' ' ' ILE . 50.3 mt-10 -51.93 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.254 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.454 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 8.7 mmmt -46.43 -47.54 19.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.508 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 15.9 tttp -51.37 -46.96 62.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.48 -63.16 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.458 HG21 ' HB2' ' A' ' 66' ' ' ALA . 2.8 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mt -104.22 157.74 16.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.566 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 20.5 tt -60.71 -57.48 11.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.524 ' N ' HG23 ' A' ' 15' ' ' ILE . 33.3 mt-10 -60.14 -14.64 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.29 -36.36 34.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.855 HG21 ' CH2' ' A' ' 52' ' ' TRP . 59.3 t -89.21 -15.1 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 15' ' ' ILE . 0.6 OUTLIER -91.06 -43.23 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.486 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -39.33 -52.18 4.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.937 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.1 Cg_endo -75.06 -57.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.612 HD13 ' CD2' ' A' ' 48' ' ' LEU . 9.7 mt -44.24 -33.86 1.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -78.68 -40.77 32.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.496 ' CG ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -49.41 -23.56 1.56 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 110.249 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.699 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -78.19 -54.8 5.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.81 HD21 ' HB3' ' A' ' 42' ' ' SER . 14.9 tp -44.49 -58.06 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -48.98 -49.6 39.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -35.31 75.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' THR . 51.5 m -75.25 -27.67 59.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.286 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -67.66 -10.23 50.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.593 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 32' ' ' HIS . . . -127.16 29.92 4.22 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 31' ' ' GLY . 63.6 m-70 -162.22 -44.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 109.572 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 1.016 HG22 HG11 ' A' ' 37' ' ' VAL . 25.3 m -86.74 148.47 25.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.352 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HB2' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -51.62 -178.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -83.08 -65.35 1.02 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' LYS . 6.5 mp0 -37.85 -52.63 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 1.016 HG11 HG22 ' A' ' 33' ' ' THR . 2.4 p -47.08 -62.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.757 ' SG ' HD11 ' A' ' 26' ' ' LEU . 48.7 t -43.58 -63.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 38' ' ' CYS . 8.0 t70 -39.97 -35.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 37' ' ' VAL . 7.6 t70 -73.35 -65.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.8 mt -47.77 -60.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.81 ' HB3' HD21 ' A' ' 26' ' ' LEU . 53.9 p -46.88 -55.51 7.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.15 -37.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 22.6 mmt-85 -72.25 -48.73 40.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.54 HD12 HD22 ' A' ' 26' ' ' LEU . 13.5 mt -50.98 -53.32 34.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.28 -40.42 2.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.606 HD11 ' OE1' ' A' ' 97' ' ' GLN . 3.8 tt -73.68 -50.93 18.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.612 ' CD2' HD13 ' A' ' 22' ' ' LEU . 13.7 tp -42.1 -53.35 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -61.47 -50.81 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -53.04 -47.74 68.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.458 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 1.2 mt-30 -65.83 -37.72 86.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.855 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.3 t-105 -65.48 -62.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -59.12 -58.81 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.49 -35.76 0.13 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.45 29.08 9.73 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.46 -15.81 23.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.8 mt -83.18 151.3 25.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.648 ' OG ' HG23 ' A' ' 61' ' ' VAL . 10.9 p -87.23 156.92 19.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.0 mt -60.46 -45.15 97.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.01 -3.21 13.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.648 HG23 ' OG ' ' A' ' 58' ' ' SER . 2.0 t -91.36 -22.98 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.607 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 7.8 mttt -91.6 -41.97 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.416 ' NZ ' ' HB ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -62.68 -34.63 77.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.5 ' O ' HG21 ' A' ' 83' ' ' ILE . 2.7 mtt85 -75.11 -42.66 56.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.573 ' CE ' HD11 ' A' ' 22' ' ' LEU . 22.0 mmm -55.51 -60.38 3.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.458 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -38.71 -36.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.529 ' HB2' HG21 ' A' ' 83' ' ' ILE . 7.4 mt -57.8 -62.5 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -51.52 -40.02 58.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.629 HG21 HG13 ' A' ' 18' ' ' VAL . 38.2 t -61.02 -63.58 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.516 ' HA ' HD12 ' A' ' 73' ' ' LEU . 80.0 mm-40 -40.17 -42.44 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -65.77 -54.74 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.467 HD21 ' HE2' ' A' ' 109' ' ' LYS . 2.0 tt -50.93 -31.27 17.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.937 HD21 ' HB3' ' A' ' 21' ' ' PRO . 91.1 mt -66.78 -43.79 83.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 6.3 m170 -82.37 -1.81 51.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.61 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.484 ' CB ' ' O ' ' A' ' 74' ' ' HIS . 2.6 m170 85.94 -1.07 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.624 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -66.13 71.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.443 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 1.5 m95 -63.56 -48.78 76.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 107.972 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -45.26 -43.24 10.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.97 -50.54 33.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.606 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -44.56 -49.97 9.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.2 -42.16 99.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.5 -57.31 8.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.529 HG21 ' HB2' ' A' ' 67' ' ' LEU . 4.4 mt -63.98 -48.44 86.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.43 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -48.15 -39.18 19.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.562 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.544 ' O ' HG23 ' A' ' 89' ' ' VAL . 34.0 mmt180 -66.61 -55.13 16.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.8 m -47.22 -34.32 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 91' ' ' HIS . 6.1 mt -74.42 -42.88 58.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.401 ' HG3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -66.3 -8.5 25.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 85' ' ' ARG . 56.6 t -80.18 -62.86 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.6 -70.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.452 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 15.3 m-70 -77.26 61.22 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 93' ' ' THR . 5.9 p -84.3 -51.76 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.51 ' N ' HG13 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -65.53 -35.65 81.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -59.89 -46.63 88.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.602 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 19.3 m -79.24 -25.19 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 97' ' ' GLN . 10.8 p -54.53 174.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.024 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.606 ' OE1' HD11 ' A' ' 47' ' ' LEU . 0.1 OUTLIER 73.04 1.2 3.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.602 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.8 p-90 -165.69 -43.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 107.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.407 ' O ' ' SD ' ' A' ' 99' ' ' MET . 25.1 tpp -37.4 -33.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 27.1 m -53.29 -47.49 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.64 -62.71 6.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.592 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 74.2 t -40.79 -48.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -48.93 -49.79 38.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 101' ' ' GLY . 18.8 tpp180 -66.92 -47.29 72.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.699 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -45.96 -50.88 14.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.1 mt -49.26 -63.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.12 -63.26 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -47.1 -59.84 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.671 ' HA ' HD12 ' A' ' 112' ' ' LEU . 26.9 mmmt -45.03 -58.81 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.443 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 3.2 tttt -50.65 -49.03 58.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -51.4 64.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 109' ' ' LYS . 47.0 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 p -150.87 -58.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 0.0 109.974 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 48.37 84.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.75 -84.61 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.25 86.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.792 . . . . 0.0 110.006 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -142.49 134.36 27.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.75 150.97 23.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 p -153.61 126.29 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.1 mt -133.16 81.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -143.85 161.82 37.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -82.09 120.48 25.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -159.26 159.88 34.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m 58.19 156.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mt -136.06 148.34 48.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.4 tt -56.83 -44.23 81.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.97 -7.71 48.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.33 -32.08 15.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.879 HG21 ' CH2' ' A' ' 52' ' ' TRP . 40.6 t -92.9 -18.64 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -91.07 -39.27 12.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.492 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -40.41 -51.89 6.21 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.731 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.03 -58.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 48' ' ' LEU . 12.4 mt -44.58 -33.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' LEU . 24.6 mt-10 -82.02 -43.24 18.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -55.65 -27.28 48.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.507 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -73.3 -55.72 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.499 HD22 HD12 ' A' ' 45' ' ' LEU . 29.7 tp -40.25 -66.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -39.68 -43.31 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -49.81 76.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' LEU . 67.3 m -64.66 -45.66 85.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 108.324 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -43.95 -36.0 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 32' ' ' HIS . . . -104.06 43.2 1.72 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.44 ' CG ' ' O ' ' A' ' 31' ' ' GLY . 21.9 m-70 -168.8 -67.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.59 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.9 m -69.52 157.69 36.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.11 154.86 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -24.95 61.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -77.31 -49.98 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.0 t -63.26 -42.8 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.5 t -66.62 -42.1 87.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 108.292 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -57.76 -41.61 82.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -59.28 -55.6 32.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.3 mt -50.89 -62.03 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.477 ' OG ' HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -40.73 -59.11 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.58 -43.56 5.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 40.8 mmt-85 -64.42 -40.91 96.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.499 HD12 HD22 ' A' ' 26' ' ' LEU . 12.8 mt -55.0 -56.09 23.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.04 -43.0 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.939 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.2 tt -66.3 -55.69 14.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.564 ' CD2' HD13 ' A' ' 22' ' ' LEU . 17.7 tp -41.56 -55.65 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -57.23 -53.95 52.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' GLY . 46.3 mm-40 -52.55 -53.14 50.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -63.71 -36.34 83.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.879 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.1 t90 -66.52 -64.15 0.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 108.026 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -56.81 -57.68 11.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.95 -43.93 0.92 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.44 19.98 10.02 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.59 -10.84 58.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 52' ' ' TRP . 54.4 mt -94.56 150.96 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.544 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -84.84 159.23 20.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.017 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.6 mt -62.3 -44.8 89.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.06 -5.17 16.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.54 ' CG2' ' ND1' ' A' ' 91' ' ' HIS . 2.2 t -90.69 -17.7 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.6 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -94.06 -50.41 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -29.96 59.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.449 ' O ' HG21 ' A' ' 83' ' ' ILE . 2.0 mtt180 -75.62 -42.26 52.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.532 ' CE ' HD11 ' A' ' 22' ' ' LEU . 20.0 mmm -57.81 -57.08 14.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.47 -41.95 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.846 ' HB2' HG21 ' A' ' 83' ' ' ILE . 9.6 mt -51.17 -65.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.809 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -48.44 -42.31 31.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.809 ' N ' HD23 ' A' ' 68' ' ' LEU . 54.2 t -60.49 -63.59 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.46 ' HA ' HD12 ' A' ' 73' ' ' LEU . 48.3 mm-40 -39.46 -41.33 0.96 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.424 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 9.6 mm-40 -66.64 -54.22 25.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tt -50.02 -29.01 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.731 HD21 ' HB3' ' A' ' 21' ' ' PRO . 93.6 mt -70.17 -47.08 63.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.465 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 1.5 m170 -78.15 -1.95 35.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.581 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.495 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 4.3 m170 84.71 0.13 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 0.0 109.602 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -67.66 67.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.1 m95 -60.53 -44.57 95.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 107.992 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.79 -40.33 28.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 82' ' ' ASP . . . -73.09 -50.28 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.68 -54.11 3.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -60.0 -38.97 84.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 79' ' ' ALA . 4.1 t0 -54.4 -64.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.846 HG21 ' HB2' ' A' ' 67' ' ' LEU . 4.5 mt -57.64 -40.27 74.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.548 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -58.02 -38.13 75.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.675 ' O ' HG23 ' A' ' 89' ' ' VAL . 20.9 mmt85 -66.71 -50.5 62.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.2 p -52.06 -35.67 48.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.446 ' CD2' ' HB2' ' A' ' 91' ' ' HIS . 5.2 mt -73.39 -40.02 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -8.91 49.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 85' ' ' ARG . 71.4 t -79.34 -60.54 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -95.69 -69.29 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.54 ' ND1' ' CG2' ' A' ' 61' ' ' VAL . 25.1 m-70 -77.63 62.4 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.612 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.65 -44.73 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.62 -47.74 58.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.387 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.442 ' CD ' HG21 ' A' ' 61' ' ' VAL . 15.7 mt-10 -47.58 -56.39 7.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.593 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 17.3 m -63.55 -34.01 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 p -51.57 172.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.939 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.7 mt-30 73.47 3.58 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.593 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.4 p-90 -168.73 -43.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.42 ' CE ' ' HB ' ' A' ' 95' ' ' VAL . 31.8 tpp -36.78 -51.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.459 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 30.4 m -39.62 -45.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.19 -53.43 44.79 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.511 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 75.2 t -57.09 -53.06 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -40.14 -41.99 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 0.3 OUTLIER -73.55 -50.42 21.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.507 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -43.18 -57.69 2.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.526 HD11 HD11 ' A' ' 68' ' ' LEU . 23.1 mt -41.04 -68.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.07 -54.09 4.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -51.19 -68.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.339 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.479 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 2.0 mmmt -43.32 -47.57 6.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -54.93 -58.23 8.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.58 -54.87 7.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.411 HD21 ' CG ' ' A' ' 32' ' ' HIS . 1.2 mt -42.77 -52.53 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 t -42.97 -63.04 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.972 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 177.98 -67.24 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 158.31 42.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 29.0 t -139.02 149.51 44.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.061 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.5 m 63.25 136.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.968 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.128 . . . . 0.0 110.947 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -123.91 -59.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m 62.71 168.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.974 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.45 174.15 38.91 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 p -150.57 117.76 5.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -148.63 131.17 15.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.979 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.573 ' O ' HG23 ' A' ' 8' ' ' VAL . . . -131.59 174.1 20.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.45 1.094 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 7' ' ' GLY . 44.2 t -157.07 111.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.4 mm -119.21 143.67 29.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -161.93 -77.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.9 p 55.8 93.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -174.11 39.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.0 m -121.58 140.22 52.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.8 mt -114.13 150.25 34.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.401 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 17.8 tt -59.08 -42.01 85.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.94 -6.9 48.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.6 -29.2 15.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.931 HG21 ' CH2' ' A' ' 52' ' ' TRP . 44.8 t -93.7 -20.5 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.57 -34.58 13.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.509 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 1.6 mmt180 -44.74 -50.97 23.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.938 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.01 -52.33 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.572 HD13 ' CD2' ' A' ' 48' ' ' LEU . 11.7 mt -45.9 -38.29 7.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -71.11 -49.62 42.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -46.45 -44.12 17.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.488 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -64.28 -47.49 79.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.977 HD22 HD12 ' A' ' 45' ' ' LEU . 29.1 tp -50.02 -69.02 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -47.56 -48.97 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.87 -27.17 66.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' ALA . 1.3 m -81.32 -42.78 20.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -45.16 -42.69 9.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.65 -44.8 56.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.637 ' CD2' ' CD2' ' A' ' 112' ' ' LEU . 65.0 m-70 -87.49 -86.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' CYS . 6.1 m -39.95 140.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.355 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.76 172.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -80.93 -54.26 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -48.62 -41.92 32.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.8 t -67.14 -57.14 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.44 -52.64 44.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 108.264 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -48.2 -39.97 22.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.85 -52.41 37.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.9 mt -55.28 -58.98 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.911 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -48.71 -40.83 29.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.051 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -35.43 66.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.474 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 18.4 mmt-85 -73.33 -47.57 41.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.977 HD12 HD22 ' A' ' 26' ' ' LEU . 14.9 mt -46.54 -52.15 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.57 -45.3 6.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 97' ' ' GLN . 2.9 tt -69.2 -50.21 49.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.674 HD13 ' CH2' ' A' ' 98' ' ' TRP . 10.0 tp -47.99 -49.85 29.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 52' ' ' TRP . 6.5 ttp180 -62.65 -63.17 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -40.27 -55.54 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -58.25 -37.13 74.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.931 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.3 t-105 -65.01 -64.6 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 107.994 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -54.17 -59.85 4.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -37.95 -31.72 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 89.54 29.93 15.05 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -90.48 -21.34 21.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 52' ' ' TRP . 75.2 mt -77.84 146.4 35.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.533 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -79.54 154.49 28.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 3.8 mt -59.07 -45.01 99.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -75.05 -4.3 15.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.645 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.2 t -90.93 -28.04 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.589 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 6.8 mttt -84.52 -40.12 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -38.16 87.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.503 ' O ' HG21 ' A' ' 83' ' ' ILE . 7.8 mtt-85 -70.22 -36.78 74.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.48 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.58 -57.69 9.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.983 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.76 -40.3 0.92 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.404 ' HB2' HG21 ' A' ' 83' ' ' ILE . 5.7 mt -53.37 -64.59 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.656 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -48.63 -43.59 36.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.656 ' N ' HD23 ' A' ' 68' ' ' LEU . 44.0 t -58.94 -61.24 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.64 ' HA ' HD12 ' A' ' 73' ' ' LEU . 46.2 mm-40 -41.8 -40.36 2.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.465 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 8.3 mm-40 -67.26 -53.1 33.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.53 HD21 ' HE2' ' A' ' 109' ' ' LYS . 2.0 tt -52.87 -25.99 13.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.938 HD21 ' HB3' ' A' ' 21' ' ' PRO . 82.6 mt -72.05 -41.01 67.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.497 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 1.1 m170 -85.42 -2.1 57.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.608 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.499 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.8 m170 86.95 -1.25 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.607 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -67.11 70.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.267 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.499 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -63.96 -43.61 95.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.026 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -37.91 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.465 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -75.78 -50.19 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.585 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -42.51 -54.17 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.74 -53.76 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -40.34 -58.98 1.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.503 HG21 ' O ' ' A' ' 64' ' ' ARG . 5.9 mt -63.11 -52.27 61.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.557 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -43.2 -50.08 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.576 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.87 ' O ' HG23 ' A' ' 89' ' ' VAL . 27.6 mmt180 -57.73 -54.38 47.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.7 m -53.39 -26.35 19.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.434 ' HB3' HG11 ' A' ' 95' ' ' VAL . 3.9 mt -82.3 -36.41 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.803 ' HG3' HG23 ' A' ' 92' ' ' VAL . 11.8 ttm -81.4 -9.93 59.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 85' ' ' ARG . 79.7 t -77.34 -53.16 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -95.53 -68.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.747 ' O ' HG22 ' A' ' 95' ' ' VAL . 31.5 m-70 -76.76 60.0 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.56 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.803 HG23 ' HG3' ' A' ' 88' ' ' MET . 3.1 p -82.42 -47.37 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.442 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -66.57 -16.08 63.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.407 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.46 ' OE1' HD23 ' A' ' 57' ' ' LEU . 28.0 mm-40 -90.31 -61.61 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.747 HG22 ' O ' ' A' ' 91' ' ' HIS . 26.1 m -58.73 -38.35 71.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 58.8 p -51.66 161.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.567 ' O ' HD13 ' A' ' 47' ' ' LEU . 4.7 tt0 85.9 1.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.679 ' HZ3' HG21 ' A' ' 102' ' ' VAL . 68.6 p-90 -166.45 -43.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 107.986 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 98' ' ' TRP . 0.4 OUTLIER -35.34 -43.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.449 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 28.6 m -43.49 -48.57 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.55 -59.49 10.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.128 . . . . 0.0 110.973 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.679 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 79.7 t -43.17 -50.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.547 ' HA ' HD12 ' A' ' 106' ' ' ILE . 6.6 tttt -47.26 -54.71 10.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -59.0 -52.64 64.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.488 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.8 OUTLIER -42.43 -51.38 4.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 103' ' ' LYS . 27.9 mt -49.8 -66.55 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -42.86 -62.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -49.19 -61.15 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.53 ' HE2' HD21 ' A' ' 72' ' ' LEU . 25.2 mmmt -42.99 -47.25 5.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -59.45 -47.09 86.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.85 -55.0 5.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.637 ' CD2' ' CD2' ' A' ' 32' ' ' HIS . 1.4 mp -40.44 -65.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.92 -65.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 105.78 -95.13 1.04 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.3 10.56 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.97 -58.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 57.77 91.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -112.54 122.11 46.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.9 169.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.042 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.71 -149.62 6.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -89.79 107.2 18.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.756 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m 56.16 170.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.97 -91.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.593 HG12 ' O ' ' A' ' 8' ' ' VAL . 73.6 t -142.67 65.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.2 mt -111.06 131.91 60.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -127.95 109.27 11.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 t -164.12 -55.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.63 163.9 27.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.477 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 1.3 m -140.13 141.17 36.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.43 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mt -103.95 143.48 32.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.561 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 19.9 tt -53.35 -50.27 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 63.3 mt-10 -61.25 -26.89 68.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.349 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.28 -26.67 60.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.988 HG21 ' CH2' ' A' ' 52' ' ' TRP . 91.5 t -94.93 -19.78 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.5 OUTLIER -92.52 -33.17 14.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.508 ' CD ' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -45.72 -51.52 28.86 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.931 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.4 Cg_endo -75.02 -53.97 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.518 HD13 ' CD2' ' A' ' 48' ' ' LEU . 18.5 mt -45.41 -37.93 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -74.28 -44.35 53.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -50.74 -41.68 56.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.617 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -63.23 -48.89 76.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.845 HD21 ' HB3' ' A' ' 42' ' ' SER . 16.0 tp -48.02 -51.41 24.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.87 -47.12 8.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 32' ' ' HIS . 27.1 m-20 -64.82 -52.62 55.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.447 ' SG ' ' CG2' ' A' ' 33' ' ' THR . 2.1 t -53.81 -36.69 62.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 108.255 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -25.11 64.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.611 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.04 26.91 7.67 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' ASP . 85.5 m-70 -153.01 -78.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.648 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.447 ' CG2' ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -59.47 156.34 13.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -50.87 147.03 5.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -60.99 -46.88 88.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -46.37 -55.28 7.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.9 t -58.99 -40.72 81.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.1 t -59.11 -58.7 7.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.3 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -51.2 -25.73 5.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -81.08 -58.99 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.507 HG21 HD12 ' A' ' 105' ' ' LEU . 98.5 mt -46.92 -62.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.845 ' HB3' HD21 ' A' ' 26' ' ' LEU . 14.1 p -45.61 -52.42 10.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.54 -36.66 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 6.4 mmt180 -71.78 -49.15 41.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.62 HD12 HD22 ' A' ' 26' ' ' LEU . 14.1 mt -48.61 -53.26 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.95 -37.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.782 HD11 ' NE2' ' A' ' 97' ' ' GLN . 3.3 tt -78.99 -56.34 4.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.729 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 4.3 tp -42.13 -53.38 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.53 ' HB2' HD11 ' A' ' 19' ' ' LEU . 1.5 ttt180 -59.26 -58.17 9.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -47.11 -53.89 11.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.66 -36.94 74.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.988 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.3 t-105 -63.71 -61.96 1.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 108.001 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -57.51 -59.85 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.57 -32.23 0.05 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 88.78 29.44 18.37 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.404 ' O ' ' OE2' ' A' ' 94' ' ' GLU . 1.8 mmmt -87.68 -27.47 22.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 mt -73.03 159.43 33.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.551 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -91.9 153.56 19.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.2 mt -56.94 -45.08 99.99 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.0 -3.79 14.44 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.534 1.807 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.633 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 1.5 t -91.34 -30.43 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.59 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 4.4 mttp -81.56 -39.76 24.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -39.78 94.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' O ' HG21 ' A' ' 83' ' ' ILE . 1.1 mtt180 -70.0 -30.5 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.423 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -67.08 -61.54 1.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.75 -41.25 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.1 mt -52.45 -65.5 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.563 HD23 ' C ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -48.05 -45.54 32.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.585 HG11 ' HG2' ' A' ' 21' ' ' PRO . 43.8 t -58.4 -62.39 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.481 ' HA ' HD12 ' A' ' 73' ' ' LEU . 49.4 mm-40 -39.23 -41.99 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 9.7 mm-40 -65.57 -54.82 22.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 tt -50.21 -30.37 11.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.931 HD21 ' HB3' ' A' ' 21' ' ' PRO . 92.3 mt -68.99 -45.22 71.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.456 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 8.3 m170 -79.98 -2.02 42.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.625 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.497 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.4 m170 85.08 -0.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.578 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -67.87 66.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.497 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -59.74 -44.57 93.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 107.988 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.68 -44.77 38.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.452 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -67.15 -52.06 46.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.404 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -41.33 -54.26 3.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.58 -58.78 5.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.74 -65.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.452 HD13 ' N ' ' A' ' 68' ' ' LEU . 11.6 mt -52.4 -51.49 32.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.465 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -42.36 -58.65 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.857 ' O ' HG23 ' A' ' 89' ' ' VAL . 21.1 mmt85 -48.9 -55.95 10.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.9 m -41.85 -42.68 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.027 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.457 ' HB3' HG11 ' A' ' 95' ' ' VAL . 5.5 mt -71.7 -46.24 59.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.437 ' HG3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -67.91 -8.42 36.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.857 HG23 ' O ' ' A' ' 85' ' ' ARG . 76.5 t -81.15 -59.17 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -95.57 -69.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.633 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 19.4 m-70 -77.64 62.03 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.58 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 93' ' ' THR . 4.9 p -85.7 -51.05 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.475 ' N ' HG13 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -64.64 -26.67 68.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 56' ' ' LYS . 5.1 mm-40 -74.84 -50.54 16.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.6 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 23.6 m -70.39 -29.97 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.8 p -53.54 171.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.782 ' NE2' HD11 ' A' ' 47' ' ' LEU . 0.3 OUTLIER 76.36 -0.23 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.729 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 67.8 p-90 -164.0 -44.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.05 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.495 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -35.19 -35.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.473 HG23 ' N ' ' A' ' 101' ' ' GLY . 31.1 m -51.57 -51.64 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -54.62 -60.57 8.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.492 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 95.0 t -48.39 -56.31 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.767 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -40.38 -54.93 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -46.36 85.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.617 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -43.64 -54.4 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.55 HD11 HD11 ' A' ' 68' ' ' LEU . 26.2 mt -45.73 -61.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -46.22 -56.54 5.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -49.7 -65.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.55 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 7.0 mmmt -42.33 -53.13 4.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -57.83 -48.49 79.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.59 -55.65 15.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.973 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.3 mt -40.82 -59.88 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.4 t -52.73 -62.6 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.028 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 64.98 82.0 0.11 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.42 4.58 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.4 m 61.59 125.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.0 m -55.97 136.27 51.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.945 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 0.0 111.025 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.45 139.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.784 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 m -148.56 160.7 42.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.57 -173.63 14.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.11 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 t -178.38 111.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -169.11 98.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.98 138.03 13.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.408 HG13 HD12 ' A' ' 9' ' ' ILE . 4.2 p -146.98 147.99 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.408 HD12 HG13 ' A' ' 8' ' ' VAL . 10.6 mt 62.36 141.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -132.54 122.41 24.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 p -174.91 156.47 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.04 166.49 10.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.503 HG21 ' HB2' ' A' ' 66' ' ' ALA . 1.1 m -128.37 144.85 51.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.436 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.473 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.7 mt -100.73 146.52 27.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.503 HG23 ' N ' ' A' ' 16' ' ' GLU . 15.9 tt -58.91 -55.21 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.503 ' N ' HG23 ' A' ' 15' ' ' ILE . 39.8 mt-10 -54.07 -31.07 50.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -30.18 66.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.842 HG21 ' CH2' ' A' ' 52' ' ' TRP . 59.3 t -91.8 -19.04 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.5 OUTLIER -89.98 -39.5 12.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -37.83 -52.79 2.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.657 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -74.96 -58.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.657 HD13 ' CD2' ' A' ' 48' ' ' LEU . 10.7 mt -45.17 -26.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' LEU . 11.2 mt-10 -88.9 -45.36 9.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.433 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 4.5 pt20 -60.14 -37.63 80.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.777 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -61.13 -48.19 82.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.919 HD12 ' SG ' ' A' ' 29' ' ' CYS . 28.2 tp -54.29 -63.46 1.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.9 mt-10 -37.67 -33.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -72.08 -54.64 9.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.919 ' SG ' HD12 ' A' ' 26' ' ' LEU . 13.9 p -58.56 -39.24 79.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 108.323 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -54.37 -35.96 63.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.615 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.55 32.54 6.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -159.15 -74.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.566 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.1 m -62.21 156.72 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -51.04 151.72 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -50.71 63.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.13 -43.5 7.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.97 -56.17 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.2 t -52.26 -53.6 41.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.286 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -21.98 4.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -85.33 -56.66 3.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.7 mt -53.37 -51.63 39.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.858 ' HB3' HD21 ' A' ' 26' ' ' LEU . 86.4 p -51.58 -48.8 63.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.71 -30.56 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.45 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 2.6 mmt180 -78.48 -46.77 18.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.683 HD12 HD22 ' A' ' 26' ' ' LEU . 22.5 mt -50.46 -49.94 53.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.69 -37.44 41.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.783 HD13 ' O ' ' A' ' 97' ' ' GLN . 2.4 tt -75.86 -49.59 17.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.897 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 1.3 tp -47.35 -59.28 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.556 ' HB2' HD11 ' A' ' 19' ' ' LEU . 1.7 ttt180 -55.14 -64.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -40.28 -50.71 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.4 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 1.1 mt-30 -64.02 -38.18 90.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.353 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.842 ' CH2' HG21 ' A' ' 18' ' ' VAL . 1.9 t90 -64.25 -61.2 2.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 108.006 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.99 -56.56 20.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.56 -32.37 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.28 16.56 43.19 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.39 -18.32 49.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.602 HD12 ' CB ' ' A' ' 52' ' ' TRP . 78.5 mt -85.11 144.03 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.509 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -75.18 160.7 30.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.76 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 3.5 mt -67.61 -44.55 44.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.01 -5.58 16.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.637 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.4 t -89.82 -19.59 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -93.74 -46.22 7.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.76 ' NZ ' HG22 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -55.87 -32.89 64.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.61 ' HB3' HD11 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -76.44 -40.43 50.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.486 ' CE ' HD11 ' A' ' 22' ' ' LEU . 25.1 mmm -56.05 -58.8 6.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.503 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -39.36 -45.48 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 64' ' ' ARG . 48.9 mt -53.56 -69.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.794 HD23 ' C ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -42.06 -41.51 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.794 ' N ' HD23 ' A' ' 68' ' ' LEU . 67.6 t -63.65 -53.11 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -50.31 -26.25 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 76' ' ' GLN . 6.3 mm-40 -80.32 -40.02 27.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.56 HD21 ' HG3' ' A' ' 109' ' ' LYS . 0.9 OUTLIER -65.96 -19.63 65.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.657 HD21 ' HB3' ' A' ' 21' ' ' PRO . 96.1 mt -79.45 -42.96 24.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.537 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 14.3 m-70 -80.64 -1.86 44.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.537 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 2.7 m170 89.9 -7.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' GLU . 22.1 mm-40 -64.62 84.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.488 ' CE2' ' O ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER -79.37 -34.85 41.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 108.051 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -47.91 84.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.45 ' HB1' ' CD ' ' A' ' 71' ' ' GLU . . . -61.43 -54.18 46.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.674 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -48.07 -47.75 33.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -62.18 -28.06 69.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 79' ' ' ALA . 5.0 t0 -70.77 -47.43 59.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.8 mt -70.94 -42.2 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.571 ' CE1' ' HD2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -49.64 -61.67 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.606 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.727 ' O ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -46.69 -57.49 4.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.4 p -48.77 -27.08 2.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' ' 64' ' ' ARG . 6.3 mt -83.86 -34.18 24.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.83 ' HG3' HG23 ' A' ' 92' ' ' VAL . 12.2 ttm -84.9 -9.96 57.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 85' ' ' ARG . 59.8 t -77.85 -52.41 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -95.29 -69.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.671 ' O ' HG22 ' A' ' 95' ' ' VAL . 41.4 m-70 -76.57 60.67 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.83 HG23 ' HG3' ' A' ' 88' ' ' MET . 2.7 p -83.21 -47.56 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.451 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -65.16 -11.18 37.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.392 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -95.63 -61.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 91' ' ' HIS . 27.0 m -60.22 -35.93 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 63.6 p -52.48 160.45 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.783 ' O ' HD13 ' A' ' 47' ' ' LEU . 4.1 tt0 85.64 4.8 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.897 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 67.6 p-90 -169.68 -43.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 107.972 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.433 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -36.47 -36.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.45 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 30.5 m -49.38 -49.77 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -56.5 -61.5 7.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.571 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 92.4 t -45.58 -51.09 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 0.757 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 84' ' ' HIS . 11.6 tttm -48.23 -42.1 29.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.3 tpp85 -73.94 -52.04 14.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.777 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -41.38 -53.11 3.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.535 HG12 HD12 ' A' ' 72' ' ' LEU . 41.8 mt -48.14 -58.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.65 -48.81 63.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -56.95 -58.61 7.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.56 ' HG3' HD21 ' A' ' 72' ' ' LEU . 15.7 mmmt -45.22 -59.97 2.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.467 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 15.7 tttp -48.89 -48.77 42.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.76 -47.21 67.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.1 mt -49.81 -59.54 3.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.4 t -41.15 -59.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.74 -90.2 0.52 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.2 t 63.51 140.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.1 t 73.36 -68.42 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -155.88 98.93 1.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.76 . . . . 0.0 109.999 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.6 p -147.62 146.53 29.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.5 -64.19 0.44 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t 72.24 -67.04 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.988 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 m 62.01 124.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.032 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.76 -166.75 22.51 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 p -170.15 125.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.7 tt -72.01 164.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -134.58 96.18 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.4 m -151.0 147.06 26.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.044 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.36 152.86 19.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.34 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.504 HG21 ' HB2' ' A' ' 66' ' ' ALA . 24.1 m -106.39 133.89 50.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.2 mt -107.33 130.17 54.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.547 HD12 ' CD1' ' A' ' 52' ' ' TRP . 17.8 tt -47.19 -54.34 2.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.487 ' N ' HG23 ' A' ' 15' ' ' ILE . 45.3 mt-10 -51.16 -36.63 42.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.81 -26.62 62.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.038 HG21 ' CH2' ' A' ' 52' ' ' TRP . 50.4 t -88.35 -23.7 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.7 OUTLIER -89.68 -38.15 14.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -38.26 -52.6 3.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.596 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -75.01 -59.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.789 HD13 ' CD2' ' A' ' 48' ' ' LEU . 15.8 mt -44.52 -27.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 21' ' ' PRO . 16.3 mt-10 -88.87 -40.1 13.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.422 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 5.2 pt20 -65.89 -28.91 69.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.776 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -71.72 -42.79 66.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.809 HD21 ' HB3' ' A' ' 42' ' ' SER . 14.4 tp -52.69 -52.87 54.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -40.16 -44.21 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.409 ' OD2' HD13 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -59.24 -50.91 72.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.429 ' SG ' ' HB ' ' A' ' 33' ' ' THR . 1.0 OUTLIER -62.3 -49.6 75.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 108.348 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -48.13 -32.48 6.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.645 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.46 48.02 0.98 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.485 ' CB ' HD21 ' A' ' 112' ' ' LEU . 8.9 t60 -170.94 -71.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.735 . . . . 0.0 109.616 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.429 ' HB ' ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -71.97 151.99 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.362 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -40.64 159.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -49.0 20.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -45.15 -40.01 6.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.841 HG12 HD12 ' A' ' 41' ' ' ILE . 76.9 t -67.39 -56.05 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 23.6 t -47.7 -59.91 2.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 108.329 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -47.23 -33.06 5.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.85 -67.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.841 HD12 HG12 ' A' ' 37' ' ' VAL . 8.8 mt -44.7 -54.61 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.809 ' HB3' HD21 ' A' ' 26' ' ' LEU . 80.2 p -49.23 -49.67 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.97 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -27.39 6.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 4.5 mmt180 -79.39 -47.2 16.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.521 HD12 HD22 ' A' ' 26' ' ' LEU . 14.2 mt -52.33 -52.14 54.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.72 -41.58 15.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tt -72.74 -50.9 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.789 ' CD2' HD13 ' A' ' 22' ' ' LEU . 4.1 tp -43.99 -56.5 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.481 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -57.7 -52.53 65.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.92 -52.31 43.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -38.48 91.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 1.038 ' CH2' HG21 ' A' ' 18' ' ' VAL . 1.9 t90 -65.68 -67.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.33 -57.91 5.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.94 -25.28 0.92 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.8 13.42 69.68 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -69.53 -11.97 61.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 0.73 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.815 HD12 ' HA ' ' A' ' 52' ' ' TRP . 53.4 mt -91.83 157.51 16.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.547 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.3 m -89.06 162.9 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.027 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.6 mt -61.89 -45.92 92.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.98 -3.21 13.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.675 HG22 ' CG ' ' A' ' 91' ' ' HIS . 5.1 t -91.14 -29.55 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.594 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 4.8 mttt -83.79 -38.84 20.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -38.7 92.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.605 ' O ' HG21 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -75.12 -21.74 58.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.517 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -74.97 -55.39 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.504 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -52.18 -36.85 52.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 67' ' ' LEU . 22.1 mt -56.02 -65.41 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.914 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -46.43 -41.04 13.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.914 ' N ' HD23 ' A' ' 68' ' ' LEU . 65.7 t -62.22 -58.15 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.761 ' HA ' HD12 ' A' ' 73' ' ' LEU . 41.9 mm-40 -44.78 -36.93 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.481 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 9.1 mm-40 -68.89 -50.63 47.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.412 HD21 ' HG3' ' A' ' 109' ' ' LYS . 2.6 tt -54.32 -24.19 18.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.761 HD12 ' HA ' ' A' ' 70' ' ' GLN . 43.5 mt -73.81 -45.87 48.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.546 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 11.1 m-70 -77.85 -2.06 34.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.634 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.546 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 2.4 m170 89.39 -7.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.622 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -64.36 84.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.522 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -79.72 -29.17 40.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 107.964 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.66 -31.21 72.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.481 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -79.79 -49.99 11.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.456 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -47.26 -40.56 16.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -69.13 -54.7 13.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.97 -51.6 5.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.605 HG21 ' O ' ' A' ' 64' ' ' ARG . 12.8 mt -65.2 -50.62 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.585 ' CD2' ' SD ' ' A' ' 99' ' ' MET . 0.2 OUTLIER -47.43 -45.45 25.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.623 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 89' ' ' VAL . 2.1 mmt180 -59.42 -60.26 4.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.8 p -46.17 -30.89 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.741 ' HB3' HG11 ' A' ' 95' ' ' VAL . 14.2 mt -76.69 -46.05 27.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.414 ' CG ' ' HG2' ' A' ' 99' ' ' MET . 67.1 mmm -69.87 -8.77 51.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 85' ' ' ARG . 69.8 t -82.8 -56.57 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -95.04 -70.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.675 ' CG ' HG22 ' A' ' 61' ' ' VAL . 6.6 m-70 -77.17 61.83 2.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.597 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.547 HG13 ' N ' ' A' ' 93' ' ' THR . 9.7 p -84.79 -53.19 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.547 ' N ' HG13 ' A' ' 92' ' ' VAL . 33.5 p -61.87 -12.04 15.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -94.77 -61.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.741 HG11 ' HB3' ' A' ' 87' ' ' LEU . 10.3 m -63.28 -26.53 41.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 58.1 p -61.44 162.25 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.8 tt0 84.83 -0.11 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.594 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.6 p-90 -163.43 -45.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 107.96 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.585 ' SD ' ' CD2' ' A' ' 84' ' ' HIS . 29.3 tpp -36.57 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 101' ' ' GLY . 35.3 m -53.37 -50.87 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.487 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -55.6 -58.64 13.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.567 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 83.6 t -43.26 -52.0 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.677 ' HA ' HD12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -47.2 -49.29 23.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -65.38 -55.14 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.776 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -41.36 -49.22 3.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 103' ' ' LYS . 17.3 mt -50.19 -66.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.22 -49.05 12.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.494 ' OE2' HG11 ' A' ' 37' ' ' VAL . 85.4 mt-10 -54.29 -67.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.412 ' HG3' HD21 ' A' ' 72' ' ' LEU . 18.5 mmmt -40.83 -54.09 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.522 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 3.5 tttm -48.57 -48.48 38.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.36 -57.46 11.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.485 HD21 ' CB ' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -45.41 -60.26 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.63 -55.59 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.036 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 58.47 83.33 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.99 42.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.9 p -128.66 -62.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.976 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.12 -58.35 2.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.06 109.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 109.993 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.5 163.4 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.16 113.62 3.98 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.71 97.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.976 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -87.08 159.62 18.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.73 147.27 4.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.4 t -97.85 78.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.1 mt -111.75 146.63 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 63.86 118.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.4 109.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.28 163.87 31.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.525 HG21 ' HB2' ' A' ' 66' ' ' ALA . 3.3 m -157.02 144.59 18.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 110.359 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mt -97.24 141.1 30.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.2 tt -61.45 -34.24 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.41 -8.14 55.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.89 -25.73 15.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.87 HG21 ' CH2' ' A' ' 52' ' ' TRP . 97.9 t -95.26 -19.94 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.586 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -93.08 -36.49 12.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -45.41 -50.77 29.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.681 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.4 Cg_endo -74.99 -50.03 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.541 1.811 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.545 HD13 HD21 ' A' ' 48' ' ' LEU . 11.6 mt -49.61 -43.41 46.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.19 -49.03 47.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.419 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 20.7 mm-40 -47.27 -41.68 19.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.285 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.825 ' HB3' HD21 ' A' ' 105' ' ' LEU . . . -62.65 -49.41 75.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.86 HD12 ' SG ' ' A' ' 29' ' ' CYS . 13.0 tp -49.65 -33.44 15.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.53 -29.36 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.445 ' HB3' ' CD1' ' A' ' 112' ' ' LEU . 4.6 m-20 -75.14 -31.23 61.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.86 ' SG ' HD12 ' A' ' 26' ' ' LEU . 13.5 p -87.13 -38.91 16.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 108.29 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.416 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.6 OUTLIER -53.13 -33.41 52.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.7 34.55 5.68 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -159.36 -67.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 0.0 109.615 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' CYS . 2.9 m -65.0 153.9 39.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -53.37 132.69 39.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.57 -36.09 4.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -59.07 -70.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 37' ' ' VAL . 17.7 t -48.29 -28.86 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 9.3 t -71.03 -48.28 53.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 108.315 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -61.58 -24.87 66.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -76.48 -49.23 17.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.32 -55.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.365 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.59 ' HB3' HD21 ' A' ' 26' ' ' LEU . 20.8 p -45.34 -57.47 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -38.3 -35.91 0.2 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.453 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 4.1 mmt180 -71.62 -56.47 5.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.665 HD12 HD22 ' A' ' 26' ' ' LEU . 12.3 mt -47.62 -49.78 26.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.75 -34.76 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.484 HD21 ' HG3' ' A' ' 51' ' ' GLN . 3.4 tt -82.7 -59.2 2.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.738 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 5.8 tp -39.7 -39.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.586 ' HB2' HD11 ' A' ' 19' ' ' LEU . 15.8 ttt180 -72.06 -63.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 54' ' ' GLY . 49.9 mt-10 -43.58 -48.09 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.484 ' HG3' HD21 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -64.0 -37.41 87.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.87 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.1 t90 -65.86 -65.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -55.37 -59.78 4.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.82 -35.02 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.4 19.71 34.6 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -83.9 -18.28 37.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.48 -178.7 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 0.7 OUTLIER -114.41 149.61 35.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.611 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.2 mt -56.95 -46.0 99.91 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.04 -6.87 18.57 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.465 1.771 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.551 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 1.5 t -89.38 -18.3 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.649 ' NZ ' ' CD1' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -94.51 -44.4 7.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HE2' ' CG2' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.05 -34.82 68.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.585 ' HB3' HD11 ' A' ' 87' ' ' LEU . 1.1 mtt180 -78.79 -35.3 44.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.521 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.85 -53.94 42.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.525 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -49.01 -41.94 36.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.521 ' HB3' HD13 ' A' ' 83' ' ' ILE . 42.4 mt -52.07 -67.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.975 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -44.73 -44.53 9.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.975 ' N ' HD23 ' A' ' 68' ' ' LEU . 58.2 t -58.46 -56.19 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -47.91 -25.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.479 ' CD ' ' HB1' ' A' ' 79' ' ' ALA . 5.2 mm-40 -81.63 -39.21 24.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.24 -21.46 66.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.681 HD21 ' HB3' ' A' ' 21' ' ' PRO . 83.0 mt -77.72 -40.82 39.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.562 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 8.6 m170 -84.06 -2.06 56.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.644 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.562 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 2.2 m170 86.61 -2.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' GLU . 10.0 mm100 -67.73 70.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.494 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -64.62 -47.46 78.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 107.979 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.1 -52.47 20.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.479 ' HB1' ' CD ' ' A' ' 71' ' ' GLU . . . -57.53 -54.76 43.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.707 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -49.13 -43.65 41.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.68 -40.1 96.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.84 -54.0 50.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.521 HD13 ' HB3' ' A' ' 67' ' ' LEU . 26.1 mt -61.85 -42.69 95.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.446 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -50.84 -44.61 59.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.529 ' O ' HG23 ' A' ' 89' ' ' VAL . 15.4 mmt85 -63.67 -51.77 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.8 p -46.43 -37.24 7.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 64' ' ' ARG . 12.2 mt -73.78 -35.97 65.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.516 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -74.05 -9.03 58.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 85' ' ' ARG . 61.5 t -78.77 -52.7 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.64 -69.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.632 ' O ' HG22 ' A' ' 95' ' ' VAL . 4.0 m-70 -82.21 63.6 6.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.635 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 88' ' ' MET . 1.4 p -79.67 -39.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.89 -57.51 3.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -45.13 -55.82 5.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 91' ' ' HIS . 18.1 m -60.05 -35.36 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.364 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.522 ' O ' ' CD1' ' A' ' 98' ' ' TRP . 0.7 OUTLIER -49.97 177.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.465 ' OE1' HD11 ' A' ' 47' ' ' LEU . 12.5 mt-30 69.04 3.46 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.738 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 67.3 p-90 -168.0 -43.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 108.015 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.525 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -35.77 -35.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.518 HG23 ' N ' ' A' ' 101' ' ' GLY . 27.3 m -55.65 -53.47 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.518 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -49.77 -57.04 10.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.62 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 94.8 t -44.15 -53.07 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 0.755 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -48.5 -41.67 30.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -71.4 -55.82 7.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.825 HD21 ' HB3' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -42.02 -52.16 4.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 39.6 mt -50.67 -63.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.1 -51.98 9.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -53.62 -61.9 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -45.9 -57.4 4.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -51.62 -54.27 29.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.07 -54.15 7.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.037 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 74.6 mt -45.77 -53.52 9.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.01 82.55 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -123.98 82.45 0.35 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 148.58 35.36 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.98 97.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.951 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.3 t -144.07 -58.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.572 1.17 . . . . 0.0 110.956 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -135.09 152.81 52.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 110.057 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.21 169.65 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.16 -144.08 5.51 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.62 144.34 23.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 109.996 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.16 158.6 37.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.16 158.77 25.91 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 p -160.39 146.38 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.682 HG23 ' HD2' ' A' ' 63' ' ' LYS . 88.3 mt -140.89 134.92 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.364 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -171.98 158.89 4.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 m 61.45 107.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.985 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -64.44 176.41 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -132.77 145.2 50.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.373 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt -98.85 148.25 24.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.548 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 12.0 tt -65.88 -46.87 87.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -64.48 -11.24 31.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.66 -29.93 18.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.794 HG21 ' HH2' ' A' ' 52' ' ' TRP . 86.5 t -96.35 -18.12 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.96 -37.42 12.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.505 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER -41.79 -51.42 9.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.588 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -75.01 -53.56 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.463 HD11 ' CE ' ' A' ' 65' ' ' MET . 11.0 mt -44.72 -36.65 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -75.4 -46.38 33.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 2.2 mm-40 -47.49 -35.71 9.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.937 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -71.1 -50.48 33.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.844 HD21 ' HB3' ' A' ' 42' ' ' SER . 26.8 tp -47.79 -68.39 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -44.17 -48.35 9.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.438 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -57.23 -36.94 71.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' LEU . 6.2 m -75.31 -38.44 60.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.367 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.436 ' CE1' ' HZ2' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -59.23 -21.95 60.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.579 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.39 24.33 11.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.519 ' HB3' HD21 ' A' ' 112' ' ' LEU . 39.8 m-70 -152.52 -65.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.635 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.1 m -73.07 153.17 40.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.583 ' HB2' HG23 ' A' ' 37' ' ' VAL . 22.3 mtpp -40.48 159.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' HZ2' ' CE1' ' A' ' 30' ' ' HIS . 31.9 tptt -76.31 -46.54 27.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -57.89 -38.89 76.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.583 HG23 ' HB2' ' A' ' 34' ' ' LYS . 91.9 t -64.1 -49.0 83.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.05 -57.53 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 108.271 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.59 -38.0 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.37 -55.74 10.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.1 mt -55.93 -58.29 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.844 ' HB3' HD21 ' A' ' 26' ' ' LEU . 3.3 p -46.13 -50.32 15.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.71 -35.71 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -70.65 -54.27 12.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.782 HD12 HD22 ' A' ' 26' ' ' LEU . 14.0 mt -45.96 -52.55 11.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.14 -34.46 1.83 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.555 HD11 ' OE1' ' A' ' 97' ' ' GLN . 3.7 tt -80.14 -55.0 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.585 HD12 HD11 ' A' ' 57' ' ' LEU . 8.1 tp -41.57 -60.28 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 64.0 ttt-85 -52.32 -61.74 2.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' GLY . 46.2 mt-10 -44.54 -44.52 8.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.407 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -70.17 -38.02 75.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.794 ' HH2' HG21 ' A' ' 18' ' ' VAL . 1.9 t90 -65.67 -60.9 2.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 108.018 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -61.78 -55.02 34.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.42 -32.53 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 96.23 17.29 34.89 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -84.34 -27.38 27.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.761 . . . . 0.0 109.245 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.731 HD12 ' CB ' ' A' ' 52' ' ' TRP . 59.7 mt -74.19 144.18 44.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.513 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -80.06 162.26 24.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.974 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.793 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 3.9 mt -67.68 -44.72 44.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -74.98 -5.4 16.75 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.552 ' CG2' ' ND1' ' A' ' 91' ' ' HIS . 3.0 t -89.78 -19.73 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.581 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 1.0 OUTLIER -93.4 -46.66 7.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.793 ' NZ ' HG22 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -54.84 -31.49 59.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.506 ' HB3' HD11 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -76.81 -46.58 24.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.463 ' CE ' HD11 ' A' ' 22' ' ' LEU . 23.0 mmm -53.29 -58.33 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.4 -32.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.231 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.41 ' HB2' HG21 ' A' ' 83' ' ' ILE . 8.8 mt -65.0 -61.36 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.858 HD12 ' O ' ' A' ' 80' ' ' ALA . 1.3 tt -48.19 -44.6 32.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.588 HG11 ' HG2' ' A' ' 21' ' ' PRO . 46.4 t -59.1 -62.83 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.51 ' HA ' HD12 ' A' ' 73' ' ' LEU . 39.6 mm-40 -38.74 -40.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.443 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 10.6 mm-40 -66.85 -53.26 34.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 tt -50.96 -29.44 12.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 21' ' ' PRO . 94.2 mt -68.87 -47.64 65.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.24 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.499 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -76.65 -2.15 31.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.573 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.516 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 3.1 m170 87.3 -4.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.589 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -65.01 77.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.547 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 0.9 OUTLIER -72.65 -33.84 66.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 107.973 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -35.25 74.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -77.23 -49.8 14.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.858 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -41.57 -54.18 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -59.36 -54.0 51.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -40.61 -64.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.446 HD13 ' N ' ' A' ' 68' ' ' LEU . 10.4 mt -52.95 -55.19 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.469 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -41.12 -56.49 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.582 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 89' ' ' VAL . 20.3 mmt180 -48.62 -59.02 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.6 m -47.71 -35.88 10.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.009 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.506 HD11 ' HB3' ' A' ' 64' ' ' ARG . 8.6 mt -72.69 -32.77 66.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.915 ' HG3' HG23 ' A' ' 92' ' ' VAL . 9.8 ttm -80.9 -8.57 59.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 85' ' ' ARG . 45.6 t -75.63 -57.6 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -90.31 -52.52 4.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.572 ' O ' HG13 ' A' ' 95' ' ' VAL . 3.6 m-70 -99.07 74.04 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.64 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.915 HG23 ' HG3' ' A' ' 88' ' ' MET . 9.6 p -82.18 -53.96 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.557 ' N ' HG13 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -63.72 -54.54 33.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -42.39 -50.24 5.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.588 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 5.7 m -73.76 -32.57 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 12.8 p -56.86 160.7 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.954 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.555 ' OE1' HD11 ' A' ' 47' ' ' LEU . 4.8 tt0 85.63 0.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.588 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.8 p-90 -164.88 -44.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 98' ' ' TRP . 30.9 tpp -36.96 -32.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 101' ' ' GLY . 32.9 m -55.08 -51.63 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.5 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -53.38 -58.0 13.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.588 HG12 HD11 ' A' ' 106' ' ' ILE . 94.1 t -44.45 -55.78 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -44.12 -48.2 9.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -65.03 -55.71 17.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.937 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -43.24 -56.84 3.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.588 HD11 HG12 ' A' ' 102' ' ' VAL . 19.2 mt -44.69 -60.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.26 -49.91 65.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -53.46 -58.74 6.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.5 ' HD2' HD12 ' A' ' 112' ' ' LEU . 11.4 mmmt -47.36 -50.99 20.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.547 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 27.2 tttm -52.2 -41.31 62.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -52.16 66.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.519 HD21 ' HB3' ' A' ' 32' ' ' HIS . 69.8 mt -42.1 -53.86 3.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -52.03 65.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 69.53 80.35 0.26 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 73.47 4.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.558 1.82 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.58 112.19 10.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.03 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.46 108.2 18.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.02 -78.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -141.77 106.66 4.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.935 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.38 89.52 0.09 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.93 170.97 13.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -170.68 111.95 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.957 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.97 99.4 0.12 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.483 1.114 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.3 t -152.07 139.23 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.417 0.716 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.3 mt 64.76 134.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.29 62.05 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.1 t -56.0 -51.84 66.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 62.38 142.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.515 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 1.3 m -131.66 142.07 49.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.403 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 mt -100.97 147.93 25.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.567 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 14.1 tt -63.34 -39.84 86.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -70.75 -6.43 37.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.36 -27.74 13.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.89 HG21 ' CH2' ' A' ' 52' ' ' TRP . 22.3 t -95.3 -22.46 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -89.93 -40.66 12.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.481 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -38.33 -52.82 3.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.573 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.3 Cg_endo -74.95 -55.05 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.748 HD11 ' CE ' ' A' ' 65' ' ' MET . 10.4 mt -45.72 -32.17 2.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 19' ' ' LEU . 9.6 mt-10 -84.14 -48.73 9.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -52.75 -26.19 13.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.827 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -74.1 -38.85 63.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.687 HD11 ' SG ' ' A' ' 38' ' ' CYS . 7.4 tp -59.49 -54.87 41.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -45.94 -47.7 16.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -35.56 71.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' LEU . 11.3 m -75.46 -38.04 59.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 108.328 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -17.6 12.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.86 16.39 23.32 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.586 ' CD2' HD22 ' A' ' 112' ' ' LEU . 34.2 m-70 -149.8 -70.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.559 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 1.001 HG22 HG11 ' A' ' 37' ' ' VAL . 11.1 m -56.12 151.15 12.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HB2' HG12 ' A' ' 37' ' ' VAL . 3.3 mtmt -55.39 -176.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -83.7 -63.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -41.3 -52.83 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.001 HG11 HG22 ' A' ' 33' ' ' THR . 2.5 p -46.85 -62.73 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.692 ' H ' HG13 ' A' ' 37' ' ' VAL . 47.0 t -50.12 -61.44 2.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.96 -29.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 38' ' ' CYS . 1.3 t70 -80.26 -60.39 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.534 HD12 HG22 ' A' ' 37' ' ' VAL . 17.9 mt -50.72 -52.57 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.66 ' HB3' HD21 ' A' ' 26' ' ' LEU . 24.8 p -50.12 -56.39 11.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -40.72 -35.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.4 ' HB3' ' HA ' ' A' ' 98' ' ' TRP . 1.2 mmt85 -71.64 -48.62 46.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.469 ' CD1' HD22 ' A' ' 26' ' ' LEU . 8.5 mt -49.66 -55.19 14.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.39 -44.3 2.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.701 HD11 ' NE2' ' A' ' 97' ' ' GLN . 3.5 tt -71.3 -51.99 21.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.648 ' CD2' HD13 ' A' ' 22' ' ' LEU . 28.7 tp -41.84 -54.69 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -61.37 -49.13 78.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 54' ' ' GLY . 25.2 mt-10 -53.0 -47.22 68.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.443 ' HG3' HD21 ' A' ' 47' ' ' LEU . 1.2 mt-30 -69.66 -36.71 76.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.89 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.3 t-105 -66.85 -63.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.018 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -60.91 -54.47 44.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.05 -37.49 0.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.63 25.93 10.34 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -94.15 -23.52 17.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 52' ' ' TRP . 27.8 mt -71.89 158.3 36.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.645 ' OG ' HG23 ' A' ' 61' ' ' VAL . 9.6 p -96.91 155.97 16.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.6 mt -60.14 -45.04 97.82 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.0 -3.22 13.6 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.645 HG23 ' OG ' ' A' ' 58' ' ' SER . 2.0 t -92.03 -21.56 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.594 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 13.9 mttt -92.88 -42.16 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -35.68 78.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -72.88 -45.28 59.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.748 ' CE ' HD11 ' A' ' 22' ' ' LEU . 18.0 mmm -54.02 -58.52 7.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.54 -38.2 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.471 ' HB2' HG21 ' A' ' 83' ' ' ILE . 7.7 mt -56.29 -64.41 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.708 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -49.77 -42.45 46.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.708 ' N ' HD23 ' A' ' 68' ' ' LEU . 59.5 t -61.49 -56.5 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.668 ' HA ' HD12 ' A' ' 73' ' ' LEU . 41.1 mm-40 -45.85 -37.65 6.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.503 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 7.9 mm-40 -69.71 -51.44 34.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tt -52.37 -25.73 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 70' ' ' GLN . 60.7 mt -71.44 -46.47 59.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.516 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 12.0 m170 -78.51 -1.8 35.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.649 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.516 ' CB ' ' O ' ' A' ' 74' ' ' HIS . 2.3 m170 88.59 -7.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -63.14 82.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.55 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 0.9 OUTLIER -76.75 -36.05 57.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -57.93 -34.27 69.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.503 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -76.91 -49.84 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -45.36 -49.11 13.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.12 -44.49 95.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -50.45 -55.81 14.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.471 HG21 ' HB2' ' A' ' 67' ' ' LEU . 6.3 mt -64.3 -47.9 87.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.43 -38.81 20.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.622 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.482 ' O ' HG23 ' A' ' 89' ' ' VAL . 21.3 mmt85 -67.56 -56.1 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.8 p -46.48 -34.21 4.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.08 -39.96 65.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 85' ' ' ARG . 94.1 mmm -69.1 -8.68 47.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 85' ' ' ARG . 72.5 t -78.73 -61.46 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -95.74 -69.88 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.464 ' ND1' HG23 ' A' ' 61' ' ' VAL . 34.9 m-70 -74.73 61.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.627 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 93' ' ' THR . 4.4 p -88.55 -50.02 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.464 ' N ' HG13 ' A' ' 92' ' ' VAL . 1.0 OUTLIER -70.15 -9.85 56.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.42 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -89.13 -59.1 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.608 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 11.0 m -65.34 -32.43 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.6 p -50.78 170.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.701 ' NE2' HD11 ' A' ' 47' ' ' LEU . 0.9 OUTLIER 77.11 -0.2 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.608 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 69.0 p-90 -164.8 -44.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.0 tpp -37.79 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 101' ' ' GLY . 25.8 m -56.75 -48.39 81.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.54 -61.94 6.9 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.489 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 74.3 t -45.13 -47.55 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 0.728 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.435 ' HA ' HD12 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -47.02 -56.31 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -60.87 -50.22 74.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.827 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -42.01 -51.75 4.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.527 HD11 HD11 ' A' ' 68' ' ' LEU . 45.6 mt -47.15 -61.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.28 -51.38 11.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -55.19 -64.7 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.706 ' HA ' HD12 ' A' ' 112' ' ' LEU . 18.0 mmmt -40.8 -53.56 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.55 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 9.6 tttp -58.05 -53.17 61.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.8 t -51.86 -47.84 64.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 109' ' ' LYS . 55.3 mt -46.06 -53.58 9.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.2 t -63.81 -53.76 45.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 62.92 69.62 1.26 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.553 1.158 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 68.48 5.77 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 92.5 p -85.96 166.76 15.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.013 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.1 m -88.22 161.71 17.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -171.51 90.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.48 101.33 7.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.17 -114.6 0.1 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -139.0 133.53 31.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 0.798 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.46 156.89 20.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.972 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.3 176.96 16.68 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.5 t -149.33 129.82 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.3 mt -139.23 97.67 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -155.13 115.09 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.1 t -125.71 79.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -178.19 109.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.576 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 2.1 m -139.46 140.79 37.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.8 mt -112.27 144.65 41.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.493 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 14.5 tt -57.99 -35.73 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -73.11 -18.78 61.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.42 -22.93 21.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.913 HG21 ' CH2' ' A' ' 52' ' ' TRP . 48.6 t -95.49 -22.95 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -92.04 -31.52 15.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.497 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 2.6 mmt180 -48.09 -51.63 47.21 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.566 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.03 -51.11 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.791 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.534 HD13 ' CD2' ' A' ' 48' ' ' LEU . 10.4 mt -45.94 -41.25 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.96 -46.85 50.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -49.24 -29.59 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.77 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -76.77 -47.04 22.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.686 HD22 HD12 ' A' ' 45' ' ' LEU . 28.2 tp -49.5 -68.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -40.93 -41.66 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.456 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -61.76 -52.01 65.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' THR . 23.5 m -62.9 -49.72 73.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 108.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.36 -42.36 2.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.639 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.9 43.09 1.77 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.584 ' HB3' HD21 ' A' ' 112' ' ' LEU . 24.4 m-70 -165.37 -64.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.607 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' CYS . 4.3 m -73.79 149.68 41.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -45.77 133.03 8.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -47.25 -54.55 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -41.21 -58.18 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.424 ' HB ' HG22 ' A' ' 33' ' ' THR . 70.9 t -51.71 -60.32 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.4 t -44.45 -60.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.281 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.01 -37.41 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' VAL . 4.5 t70 -70.48 -57.45 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.548 HG21 HD12 ' A' ' 105' ' ' LEU . 96.5 mt -49.79 -61.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.45 ' HB3' HD21 ' A' ' 26' ' ' LEU . 12.6 p -39.63 -59.06 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.28 -46.88 6.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.439 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 16.5 mmt180 -59.34 -40.97 88.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.686 HD12 HD22 ' A' ' 26' ' ' LEU . 11.1 mt -60.17 -56.01 26.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' LEU . . . -40.03 -46.63 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.14 -50.79 60.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.567 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 8.7 tp -45.74 -57.57 4.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.465 ' HB2' HD11 ' A' ' 19' ' ' LEU . 16.4 ttt180 -57.41 -59.41 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -44.52 -49.85 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -65.34 -37.68 87.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.913 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.0 t90 -65.68 -62.83 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 107.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -58.18 -58.31 9.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.87 -35.95 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.97 37.1 5.55 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' O ' ' OE2' ' A' ' 94' ' ' GLU . 2.0 mmtt -99.05 -23.69 15.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 52' ' ' TRP . 40.8 mt -78.26 148.28 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.538 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.2 m -78.16 163.15 26.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.9 mt -64.25 -45.26 78.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.03 -2.58 12.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.54 ' CG2' ' ND1' ' A' ' 91' ' ' HIS . 3.9 t -89.7 -27.33 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.615 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 24.2 mttt -86.38 -42.2 13.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -36.33 79.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -72.18 -44.26 63.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 66' ' ' ALA . 23.7 mmm -51.64 -61.56 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -38.17 -42.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.239 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.45 ' HB2' HG21 ' A' ' 83' ' ' ILE . 9.1 mt -50.35 -65.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.365 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.895 HD12 ' O ' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -48.45 -46.38 37.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.566 HG11 ' HG2' ' A' ' 21' ' ' PRO . 47.0 t -56.74 -59.27 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.493 ' HA ' HD12 ' A' ' 73' ' ' LEU . 33.9 mm-40 -43.4 -43.36 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.497 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 9.0 mm-40 -63.71 -55.36 23.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 tt -46.4 -37.17 7.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 70' ' ' GLN . 59.0 mt -62.54 -48.0 81.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.445 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 33.7 m170 -75.83 -1.97 27.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.621 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.472 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.2 m170 83.5 -1.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.625 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -67.26 70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.566 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 1.0 OUTLIER -63.66 -42.18 98.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 107.964 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.02 -41.47 59.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.497 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -70.69 -51.16 29.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.895 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -44.42 -52.98 7.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -58.99 5.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -39.82 -60.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.45 HG21 ' HB2' ' A' ' 67' ' ' LEU . 13.7 mt -57.34 -54.53 29.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -43.55 -49.69 7.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.576 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 1.012 ' O ' HG23 ' A' ' 89' ' ' VAL . 20.1 mmt85 -56.61 -48.39 77.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.9 m -53.66 -39.95 65.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.69 ' HB3' HG11 ' A' ' 95' ' ' VAL . 9.2 mt -71.68 -32.25 67.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.473 ' O ' ' CG ' ' A' ' 88' ' ' MET . 11.6 ttm -86.32 -8.71 57.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 1.012 HG23 ' O ' ' A' ' 85' ' ' ARG . 70.4 t -81.11 -50.56 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -95.34 -69.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.85 ' O ' HG22 ' A' ' 95' ' ' VAL . 2.1 m-70 -75.12 61.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.62 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.413 HG23 ' HG3' ' A' ' 88' ' ' MET . 9.8 p -86.72 -14.71 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.0 p -97.37 -10.34 25.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.359 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 56' ' ' LYS . 5.8 mm-40 -104.05 -62.72 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.85 HG22 ' O ' ' A' ' 91' ' ' HIS . 10.1 m -55.26 -33.99 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.1 p -55.17 170.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.84 -0.42 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.678 ' HZ3' HG21 ' A' ' 102' ' ' VAL . 62.3 p-90 -160.94 -46.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.031 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.35 -45.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 29.4 m -45.22 -45.3 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.075 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.81 -57.2 21.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.678 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 88.2 t -50.4 -47.58 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.449 ' HD2' ' CE1' ' A' ' 84' ' ' HIS . 20.0 tttm -46.97 -47.41 21.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -69.01 -49.01 61.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 110.276 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.77 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -40.94 -55.82 2.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.666 HD11 HD11 ' A' ' 68' ' ' LEU . 22.1 mt -43.9 -65.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -42.13 -58.45 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -50.52 -64.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.728 ' HA ' HD12 ' A' ' 112' ' ' LEU . 23.1 mmmt -42.94 -50.42 5.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.566 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 46.1 tttt -55.57 -63.51 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.37 -53.11 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.963 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' A' ' 109' ' ' LYS . 6.8 mt -43.72 -60.24 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.6 t -41.92 -56.85 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 117.9 86.83 1.16 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.71 9.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.445 1.761 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.71 93.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.9 m -170.11 96.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.13 . . . . 0.0 110.947 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.21 103.04 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.785 . . . . 0.0 110.024 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -84.24 -58.55 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.13 -58.89 0.59 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.0 161.74 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 109.985 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 62.68 148.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.63 84.73 1.46 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -169.21 135.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.272 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.1 mt -139.16 146.49 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -109.05 120.04 41.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.35 142.48 22.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.51 175.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.485 HG21 ' HB2' ' A' ' 66' ' ' ALA . 17.3 m -158.75 136.37 10.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.79 150.42 20.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.537 HD12 ' CD1' ' A' ' 52' ' ' TRP . 19.4 tt -61.62 -50.68 79.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.446 ' N ' HG23 ' A' ' 15' ' ' ILE . 83.7 mt-10 -61.68 -15.46 40.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 -30.37 23.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.74 HG21 ' HH2' ' A' ' 52' ' ' TRP . 59.4 t -96.01 -19.89 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 15' ' ' ILE . 0.6 OUTLIER -89.66 -38.09 14.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.479 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 1.1 mmt180 -38.3 -52.67 3.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.564 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.3 Cg_endo -74.99 -58.31 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.71 HD11 ' CE ' ' A' ' 65' ' ' MET . 13.6 mt -45.22 -26.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 21' ' ' PRO . 9.1 mt-10 -90.12 -39.37 12.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.426 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 5.9 pt20 -66.21 -29.84 70.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.593 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -67.08 -51.67 51.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.675 HD11 ' SG ' ' A' ' 38' ' ' CYS . 12.3 tp -46.87 -47.35 21.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -46.24 -32.64 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.6 -39.29 73.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -77.03 -35.15 57.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.446 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -59.5 -22.73 62.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.642 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.6 43.58 1.35 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.428 ' CB ' HD21 ' A' ' 112' ' ' LEU . 16.1 t60 -166.6 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.598 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.529 HG21 ' OE1' ' A' ' 108' ' ' GLU . 0.9 OUTLIER -68.4 151.75 46.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.413 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -45.6 155.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -69.66 -46.26 66.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -46.75 -47.68 20.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.03 -39.05 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.675 ' SG ' HD11 ' A' ' 26' ' ' LEU . 49.6 t -64.29 -53.47 48.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -49.9 -24.78 2.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.56 -59.31 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.6 mt -53.74 -59.08 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.635 ' HB3' HD21 ' A' ' 26' ' ' LEU . 23.3 p -42.07 -58.87 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.69 -46.15 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.452 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 62.6 mmt-85 -62.76 -41.06 99.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.418 1.074 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' ALA . 10.4 mt -53.84 -57.62 10.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' LEU . . . -40.02 -45.41 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.829 HD13 ' O ' ' A' ' 97' ' ' GLN . 0.9 OUTLIER -66.07 -58.88 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.669 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 8.7 tp -40.43 -52.12 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -63.72 -61.79 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -44.73 -50.11 10.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.42 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -66.35 -38.28 87.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.74 ' HH2' HG21 ' A' ' 18' ' ' VAL . 1.8 t90 -64.45 -63.24 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 108.005 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.51 -56.71 18.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.51 -34.24 0.24 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.31 18.96 29.4 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -84.01 -14.15 51.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.401 HD12 ' CB ' ' A' ' 52' ' ' TRP . 46.1 mt -91.65 136.6 33.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.512 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -68.1 161.01 27.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.009 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.668 HG22 ' CE ' ' A' ' 63' ' ' LYS . 2.8 mp -67.31 -44.54 47.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -75.07 -5.62 16.99 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.48 HG22 ' CG ' ' A' ' 91' ' ' HIS . 2.5 t -89.52 -20.11 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -94.36 -45.87 7.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.668 ' CE ' HG22 ' A' ' 59' ' ' ILE . 1.7 mtmp? -54.68 -35.09 63.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.912 ' CB ' HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -71.64 -40.61 69.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.71 ' CE ' HD11 ' A' ' 22' ' ' LEU . 22.0 mmm -57.25 -57.44 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.485 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -39.09 -43.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.0 mt -54.51 -66.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.858 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -45.28 -43.41 10.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.858 ' N ' HD23 ' A' ' 68' ' ' LEU . 76.1 t -58.9 -53.71 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -51.37 -29.24 14.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.47 ' CD ' ' HB1' ' A' ' 79' ' ' ALA . 6.0 mm-40 -75.75 -41.0 54.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.792 HD21 ' HG3' ' A' ' 109' ' ' LYS . 0.9 OUTLIER -63.14 -26.09 68.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.0 mt -79.14 -37.65 38.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.551 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER -83.39 -2.0 54.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.585 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.551 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 0.7 OUTLIER 82.91 -3.21 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.623 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 71' ' ' GLU . 29.5 mm-40 -69.15 61.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.518 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -56.19 -46.71 79.31 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -49.05 -50.68 35.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.47 ' HB1' ' CD ' ' A' ' 71' ' ' GLU . . . -60.01 -54.16 49.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.356 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.619 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -45.37 -46.06 12.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.16 -38.84 92.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -58.54 -50.22 74.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.5 mt -68.6 -43.63 83.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.562 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -50.38 -57.9 6.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.551 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.785 ' O ' HG23 ' A' ' 89' ' ' VAL . 22.6 mmt180 -51.21 -53.15 37.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.333 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.6 m -47.94 -44.12 29.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 110.038 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.912 HD21 ' CB ' ' A' ' 64' ' ' ARG . 30.5 mt -67.47 -29.99 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.772 ' HG3' HG23 ' A' ' 92' ' ' VAL . 12.4 ttm -87.84 -9.24 54.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 85' ' ' ARG . 78.7 t -83.46 -49.7 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.5 -69.64 0.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.576 ' O ' HG13 ' A' ' 95' ' ' VAL . 15.5 m-70 -81.66 62.62 5.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.584 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.772 HG23 ' HG3' ' A' ' 88' ' ' MET . 3.5 p -81.9 -50.81 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.487 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 31.5 p -62.57 -11.82 18.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -95.77 -61.93 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.746 HG11 ' HB3' ' A' ' 87' ' ' LEU . 10.5 m -61.71 -27.46 42.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 58.1 p -61.08 163.22 6.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.829 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.1 tt0 83.24 1.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.669 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 69.7 p-90 -164.12 -46.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 108.04 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.485 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.4 OUTLIER -37.92 -42.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.452 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 27.2 m -45.53 -46.7 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -59.47 -59.96 9.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.475 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 76.7 t -47.82 -46.96 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.95 -52.96 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -61.73 -47.85 83.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.593 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -40.64 -60.21 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.486 HD11 HD11 ' A' ' 68' ' ' LEU . 17.4 mt -44.45 -52.26 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.79 -42.55 75.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.529 ' OE1' HG21 ' A' ' 33' ' ' THR . 2.2 mm-40 -61.6 -66.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.792 ' HG3' HD21 ' A' ' 72' ' ' LEU . 17.9 mmmt -40.62 -54.42 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -48.16 -55.56 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.66 -59.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.428 HD21 ' CB ' ' A' ' 32' ' ' HIS . 1.8 mp -54.09 -60.65 3.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.467 ' HB2' ' CZ2' ' A' ' 77' ' ' TRP . 43.7 m -74.37 78.66 1.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -115.75 91.2 0.55 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -44.38 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 98.9 p -105.08 170.39 7.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.948 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.2 m -125.54 118.42 25.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.002 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.33 79.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 110.018 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -96.5 91.74 5.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.14 164.46 30.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.27 155.54 30.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 0.749 . . . . 0.0 109.986 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.8 p -131.91 78.89 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.83 116.87 3.11 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 p -168.01 135.18 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 109.286 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.0 mt -134.43 133.56 54.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -175.51 -44.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 p -161.18 146.73 14.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.992 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.58 151.69 44.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.592 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 1.4 m -116.79 140.48 49.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.418 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mt -105.34 151.9 23.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.56 ' CD1' ' HB2' ' A' ' 53' ' ' ALA . 19.5 tt -62.02 -41.06 89.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 20' ' ' ARG . 39.8 mt-10 -75.01 -8.0 55.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.51 -31.27 16.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.935 HG21 ' CH2' ' A' ' 52' ' ' TRP . 38.7 t -92.84 -16.1 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.434 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -92.02 -37.38 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.514 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -43.13 -50.84 14.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.717 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.02 -53.2 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.548 HD13 ' CD2' ' A' ' 48' ' ' LEU . 8.4 mt -43.61 -39.93 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -73.77 -48.09 34.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -46.55 -46.54 19.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.67 ' HB1' ' HD3' ' A' ' 109' ' ' LYS . . . -57.71 -55.03 40.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.695 HD21 ' HB3' ' A' ' 42' ' ' SER . 32.4 tp -43.46 -54.94 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -41.11 -43.62 2.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -54.81 26.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.46 ' SG ' HD12 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -55.3 -46.66 76.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.254 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.46 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -49.9 -24.1 2.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -120.28 34.18 4.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -160.02 -66.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 109.593 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.82 150.63 48.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.44 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.3 146.75 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -29.44 70.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -68.91 -57.16 5.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.0 t -58.46 -31.97 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.5 t -67.19 -52.1 45.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 108.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -54.52 -32.96 59.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.73 -64.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 52.9 mt -41.61 -62.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.695 ' HB3' HD21 ' A' ' 26' ' ' LEU . 78.7 p -44.06 -54.52 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -47.86 -39.04 17.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.468 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 15.4 mmt180 -69.17 -36.54 77.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.543 HD12 HD22 ' A' ' 26' ' ' LEU . 15.5 mt -59.78 -55.93 28.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.47 -45.54 2.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.73 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.2 tt -67.75 -56.36 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.796 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 2.3 tp -40.58 -52.27 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.434 ' HB2' HD11 ' A' ' 19' ' ' LEU . 29.7 ttt85 -62.07 -44.13 97.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' GLY . 31.4 mt-10 -61.09 -46.56 90.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -68.13 -38.56 82.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.935 ' CH2' HG21 ' A' ' 18' ' ' VAL . 1.7 t-105 -63.15 -61.66 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.56 ' HB2' ' CD1' ' A' ' 15' ' ' ILE . . . -60.75 -56.8 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.45 -33.59 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 97.69 7.76 56.42 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' O ' ' OE1' ' A' ' 94' ' ' GLU . 1.5 mmmt -71.56 -10.64 60.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 52' ' ' TRP . 76.0 mt -96.77 142.44 28.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.547 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.1 m -75.08 162.68 28.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.633 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 6.1 mt -64.22 -45.03 78.61 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -75.03 -2.57 12.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.661 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.5 t -89.83 -29.4 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.611 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 34.3 mttm -84.92 -42.06 15.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -35.43 77.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.756 ' CB ' HD21 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -75.11 -42.38 56.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.317 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -57.49 10.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.432 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -42.05 -35.96 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.3 -61.88 2.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.631 HD23 ' C ' ' A' ' 68' ' ' LEU . 1.1 tt -49.18 -42.9 41.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.633 HG21 HG13 ' A' ' 18' ' ' VAL . 46.9 t -61.01 -60.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.425 ' HA ' HD12 ' A' ' 73' ' ' LEU . 64.5 mm-40 -42.45 -43.69 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 44.1 mm-40 -63.81 -55.59 21.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tt -49.55 -33.37 14.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' A' ' 21' ' ' PRO . 88.8 mt -66.19 -43.98 85.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.471 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 10.0 m-70 -80.56 -2.29 45.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.548 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.512 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 3.4 m170 85.16 0.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.624 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.404 ' CB ' ' OE1' ' A' ' 71' ' ' GLU . 35.5 mm-40 -69.3 70.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.516 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -65.7 -37.89 87.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 108.037 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.58 -34.44 64.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.411 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -79.35 -49.24 12.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.464 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -43.33 -53.99 4.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -57.17 -55.51 33.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -39.89 -57.75 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.9 mt -61.63 -56.94 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.493 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -40.71 -49.19 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.571 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.983 ' O ' HG23 ' A' ' 89' ' ' VAL . 33.5 mmt180 -58.18 -49.44 77.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.7 p -51.38 -41.77 60.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.756 HD21 ' CB ' ' A' ' 64' ' ' ARG . 74.0 mt -71.52 -45.03 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -8.48 38.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 85' ' ' ARG . 55.2 t -84.52 -50.67 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.58 -69.69 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.661 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 7.5 m-70 -82.33 64.45 7.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.627 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.449 ' O ' ' CB ' ' A' ' 96' ' ' SER . 3.6 p -84.58 -40.18 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.1 p -72.54 -16.71 61.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 56' ' ' LYS . 7.8 mm-40 -88.05 -61.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.601 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 18.5 m -58.64 -30.81 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 21.3 p -59.43 161.05 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.73 ' O ' HD13 ' A' ' 47' ' ' LEU . 6.7 tt0 85.32 0.68 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.796 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 66.6 p-90 -163.59 -44.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' TRP . 0.4 OUTLIER -37.62 -47.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.468 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 35.1 m -41.21 -42.93 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -62.58 -55.18 28.7 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.536 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 53.0 t -56.16 -47.95 79.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.51 ' HA ' HD12 ' A' ' 106' ' ' ILE . 3.5 tmtt? -46.81 -54.02 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -59.99 -48.4 81.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.539 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -42.35 -51.1 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 103' ' ' LYS . 34.1 mt -46.77 -61.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -46.61 -59.14 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -50.31 -67.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.67 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -42.12 -53.02 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.516 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 23.4 tttt -56.45 -54.18 48.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.36 -51.71 18.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.4 mt -41.44 -59.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.1 -64.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 53.49 67.72 2.0 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.86 -46.61 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.548 1.815 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.83 105.22 8.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 109.977 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 58.8 p -96.35 158.17 15.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -163.85 127.3 2.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.052 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.55 148.6 12.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.24 -143.73 9.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 t 54.06 79.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.961 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 t -90.75 147.69 23.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.81 -74.1 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.1 t 60.1 68.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.8 mt -130.87 132.13 64.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.26 119.66 7.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.27 144.9 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.97 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.56 133.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.528 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 2.4 m -153.34 147.22 25.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mt -115.76 149.73 38.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.413 HD12 ' CD1' ' A' ' 52' ' ' TRP . 21.5 tt -57.85 -43.51 84.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -70.73 -6.43 37.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.87 -32.53 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.926 HG21 ' CH2' ' A' ' 52' ' ' TRP . 42.8 t -90.8 -22.43 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -89.68 -38.29 13.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -38.95 -52.34 3.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.581 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.93 -58.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 48' ' ' LEU . 11.7 mt -45.45 -27.55 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 19' ' ' LEU . 11.0 mt-10 -86.73 -46.61 9.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.433 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 6.2 pt20 -61.07 -29.45 69.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.795 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -68.11 -44.35 76.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.65 HD21 ' HB3' ' A' ' 42' ' ' SER . 17.7 tp -51.88 -60.9 2.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -44.73 -46.56 10.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.46 -37.27 75.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' THR . 62.4 m -75.53 -43.7 47.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.7 -25.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.093 . . . . 0.0 109.581 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.21 -34.28 10.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.565 1.166 . . . . 0.0 111.037 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 29' ' ' CYS . 79.9 t60 -101.44 -72.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 1.026 HG22 HG11 ' A' ' 37' ' ' VAL . 8.2 m -42.4 152.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HB2' HG12 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -55.79 -166.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -94.82 -59.75 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.36 -45.07 35.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.026 HG11 HG22 ' A' ' 33' ' ' THR . 2.6 p -48.61 -60.85 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.654 ' H ' HG13 ' A' ' 37' ' ' VAL . 49.0 t -47.72 -59.63 3.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 38' ' ' CYS . 20.3 t70 -39.62 -34.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -76.22 -60.02 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.439 HG21 HD12 ' A' ' 105' ' ' LEU . 89.9 mt -49.92 -58.2 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.65 ' HB3' HD21 ' A' ' 26' ' ' LEU . 89.9 p -47.08 -54.46 10.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -38.56 22.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.435 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 30.9 mmt180 -69.84 -44.01 70.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.441 HD12 HD22 ' A' ' 26' ' ' LEU . 10.5 mt -53.54 -55.74 22.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.17 -43.39 1.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.3 tt -67.11 -55.02 16.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.663 HD22 ' CZ3' ' A' ' 98' ' ' TRP . 6.2 tp -42.57 -53.8 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -58.2 -51.64 68.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.344 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 54' ' ' GLY . 31.2 mm-40 -54.71 -55.57 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.62 -37.17 80.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.926 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.1 t-105 -66.0 -64.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 107.996 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -54.09 -59.15 5.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -38.6 -30.79 0.1 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 87.1 31.68 16.5 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.34 -26.36 22.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 52' ' ' TRP . 20.2 mt -75.72 160.23 30.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.531 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.8 OUTLIER -86.8 158.72 19.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.1 mt -63.2 -44.96 85.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -74.98 -2.63 12.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.62 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.3 t -90.69 -25.75 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.587 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 30.7 mttm -89.37 -41.36 12.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.34 80.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.614 ' HB3' HD11 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -73.82 -42.87 60.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.569 ' HE1' HD11 ' A' ' 22' ' ' LEU . 16.7 mmm -53.69 -58.81 5.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -38.76 -45.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.6 mt -51.46 -68.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.872 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -44.98 -43.12 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.872 ' N ' HD23 ' A' ' 68' ' ' LEU . 74.5 t -60.55 -50.65 79.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.458 ' HA ' HD12 ' A' ' 73' ' ' LEU . 86.3 mm-40 -53.71 -30.12 42.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.466 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 4.9 mm-40 -74.48 -43.18 57.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.496 HD12 HG12 ' A' ' 106' ' ' ILE . 2.8 tt -61.51 -25.29 67.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 70' ' ' GLN . 65.8 mt -75.59 -41.09 55.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.488 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 29.0 m170 -83.24 -2.44 55.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.518 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.7 m170 84.46 1.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.615 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' GLU . 29.4 mm-40 -71.38 59.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.518 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -54.21 -53.05 58.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -43.09 -52.81 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.466 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -57.29 -54.81 42.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.69 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -45.06 -51.12 10.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.54 -36.86 69.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 79' ' ' ALA . 1.3 t70 -60.69 -58.57 7.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.0 mt -59.37 -46.28 92.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.472 ' CB ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.1 -49.89 50.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.634 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.904 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.3 mmt85 -54.47 -52.38 62.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.6 p -48.42 -40.99 27.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.614 HD11 ' HB3' ' A' ' 64' ' ' ARG . 17.5 mt -71.76 -43.34 65.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -9.15 50.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 85' ' ' ARG . 71.8 t -80.55 -55.28 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -95.09 -69.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.668 ' O ' HG22 ' A' ' 95' ' ' VAL . 13.9 m-70 -75.85 60.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.571 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 93' ' ' THR . 6.0 p -84.91 -49.57 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.463 ' N ' HG13 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -67.53 -21.36 65.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.388 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -81.48 -61.49 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 91' ' ' HIS . 25.6 m -57.39 -38.63 63.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.1 p -48.75 174.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.82 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER 73.46 2.92 4.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.262 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.663 ' CZ3' HD22 ' A' ' 48' ' ' LEU . 69.3 p-90 -167.72 -44.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 108.011 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.468 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -37.09 -47.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.958 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.435 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 28.8 m -42.34 -46.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -58.85 -48.51 85.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.098 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.531 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 68.3 t -61.53 -55.59 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 0.731 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -42.79 -50.15 5.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -62.76 -50.48 70.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.255 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.795 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -43.07 -59.76 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.325 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.571 HD11 HD11 ' A' ' 68' ' ' LEU . 40.1 mt -41.85 -59.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.3 -48.17 36.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -58.97 -64.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.403 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 6.9 mmmt -40.76 -48.2 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' SER . 14.7 tttm -57.95 -50.92 71.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' LYS . 0.1 OUTLIER -39.44 -54.16 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 mp -49.24 -63.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.99 79.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -133.13 97.21 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.432 1.083 . . . . 0.0 111.042 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 73.72 4.22 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.3 p -165.52 -58.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.37 -57.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t 66.25 163.23 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -168.26 173.79 7.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.75 -153.79 14.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -170.48 173.65 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -53.0 176.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.011 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.37 157.64 22.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 t -137.65 112.1 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.255 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.561 HD13 ' OE1' ' A' ' 70' ' ' GLN . 32.8 mt -122.86 134.43 66.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -175.89 139.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.308 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.45 -176.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 13' ' ' THR . 2.2 mt-10 -62.76 -21.5 65.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.538 ' CG2' ' HB2' ' A' ' 66' ' ' ALA . 3.0 m 60.43 125.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.0 mt -106.33 151.71 24.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.507 HD12 ' CD1' ' A' ' 52' ' ' TRP . 19.3 tt -61.91 -49.29 84.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.402 ' N ' HG23 ' A' ' 15' ' ' ILE . 1.9 mm-40 -65.92 -16.76 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.73 -33.6 30.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.915 HG21 ' CH2' ' A' ' 52' ' ' TRP . 63.4 t -89.3 -21.15 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -90.11 -37.0 14.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.591 1.182 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.486 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 2.6 mmt180 -38.87 -52.34 3.74 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 110.348 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.641 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.06 -58.0 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.751 HD13 ' CD2' ' A' ' 48' ' ' LEU . 21.1 mt -45.43 -28.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' LEU . 15.3 mt-10 -85.66 -46.07 11.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.435 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 5.8 pt20 -62.35 -28.83 70.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.591 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -71.24 -50.28 34.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.778 HD22 HD12 ' A' ' 45' ' ' LEU . 41.5 tp -46.14 -61.41 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.19 -45.96 5.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.56 -41.21 72.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 26' ' ' LEU . 82.0 m -70.43 -42.22 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 108.317 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -42.47 -54.57 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.415 ' O ' ' CD2' ' A' ' 32' ' ' HIS . . . -90.96 47.58 2.95 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.457 ' CG ' ' CD2' ' A' ' 112' ' ' LEU . 19.8 m-70 -167.29 -76.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.6 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.4 m -66.59 151.69 46.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.419 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.96 170.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -82.42 -48.07 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -50.9 -35.05 30.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.2 t -76.49 -54.64 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -41.54 64.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 108.344 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -31.68 72.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -71.41 -60.73 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 44' ' ' ARG . 29.4 mt -49.75 -61.21 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.775 ' HB3' HD21 ' A' ' 26' ' ' LEU . 39.4 p -42.24 -54.87 3.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.4 -34.84 1.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.447 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 3.9 mmt180 -71.55 -51.53 22.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.778 HD12 HD22 ' A' ' 26' ' ' LEU . 14.9 mt -43.02 -50.68 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.39 -45.05 35.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.751 HD13 ' O ' ' A' ' 97' ' ' GLN . 2.0 tt -68.69 -41.2 79.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.751 ' CD2' HD13 ' A' ' 22' ' ' LEU . 13.5 tp -55.14 -62.08 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 53' ' ' ALA . 68.1 ttt180 -51.17 -60.82 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -42.52 -54.57 3.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.47 ' HB3' HD21 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -60.76 -38.77 86.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.915 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.2 t90 -65.83 -66.83 0.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 49' ' ' ARG . . . -50.7 -59.11 4.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.04 -40.43 1.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.2 12.74 32.97 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -26.17 61.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 51' ' ' GLN . 46.0 mt -73.97 147.97 42.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.501 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -81.64 149.13 28.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.603 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.1 mt -55.36 -45.57 99.84 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.06 -5.63 17.01 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.519 1.8 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.582 HG23 ' ND1' ' A' ' 91' ' ' HIS . 2.2 t -92.13 -20.92 6.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.576 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 2.0 mttp -88.76 -47.85 7.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -29.33 67.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.565 ' HB3' HD11 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -77.12 -45.69 26.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.597 ' HE2' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -52.97 -58.31 7.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.538 ' HB2' ' CG2' ' A' ' 13' ' ' THR . . . -39.61 -35.45 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mt -62.01 -62.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.769 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.55 -34.05 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.769 ' N ' HD23 ' A' ' 68' ' ' LEU . 68.3 t -72.4 -60.06 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.69 ' HA ' HD12 ' A' ' 73' ' ' LEU . 38.0 mm-40 -41.28 -37.94 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 9.2 mm-40 -66.76 -51.22 58.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.521 HD12 HG12 ' A' ' 106' ' ' ILE . 2.0 tt -54.56 -27.28 37.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 70' ' ' GLN . 62.4 mt -70.59 -45.76 64.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.54 ' C ' ' CG ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -79.11 -1.73 37.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.616 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.54 ' CG ' ' C ' ' A' ' 74' ' ' HIS . 1.7 m170 88.49 -3.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.642 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -66.1 73.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.528 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -68.43 -38.24 81.01 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -41.52 70.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -70.52 -51.27 29.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -40.04 -54.95 2.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -60.6 -45.82 92.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -45.12 -66.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.9 mt -54.23 -52.42 38.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.239 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.534 ' CG ' ' N ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -40.32 -70.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.59 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.714 ' O ' HG23 ' A' ' 89' ' ' VAL . 24.2 mmt180 -39.77 -63.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.1 m -47.27 -36.74 9.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.565 HD11 ' HB3' ' A' ' 64' ' ' ARG . 6.0 mt -71.29 -35.42 71.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.464 ' O ' ' CG ' ' A' ' 88' ' ' MET . 12.2 ttm -85.47 -9.35 57.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 85' ' ' ARG . 54.4 t -79.58 -58.31 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -86.21 -65.48 1.01 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.582 ' ND1' HG23 ' A' ' 61' ' ' VAL . 3.8 m-70 -79.99 61.54 3.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.642 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.414 HG23 ' HG3' ' A' ' 88' ' ' MET . 9.8 p -82.09 -24.03 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.56 -9.85 57.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.449 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -103.76 -56.08 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 95' ' ' VAL . 1.8 m -83.42 52.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' ' 97' ' ' GLN . 4.8 p -132.07 159.13 39.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.751 ' O ' HD13 ' A' ' 47' ' ' LEU . 69.0 mt-30 74.54 12.49 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.589 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.4 p-90 -163.4 -48.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 95' ' ' VAL . 28.8 tpp -37.54 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.061 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 98' ' ' TRP . 27.3 m -56.31 -49.39 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.4 -63.99 4.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.469 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 73.2 t -40.01 -53.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.8 tttm -42.0 -49.47 4.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 101' ' ' GLY . 15.4 tpp180 -66.78 -50.7 61.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.591 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -42.33 -56.13 3.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.521 HG12 HD12 ' A' ' 72' ' ' LEU . 23.5 mt -44.9 -58.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.03 -52.18 45.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -55.14 -61.82 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.616 ' HA ' HD12 ' A' ' 112' ' ' LEU . 12.4 mmmt -45.81 -48.24 15.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.518 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 60.9 tttt -55.44 -59.14 5.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.07 -52.73 8.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 109' ' ' LYS . 55.5 mt -44.67 -58.76 2.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.98 -56.83 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.041 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -58.41 109.82 2.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 97.89 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.792 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 73.7 m -152.62 141.61 21.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.5 m -148.07 96.34 2.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p -159.15 -52.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 110.016 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -172.39 -63.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.62 -146.12 17.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.12 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.47 93.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.3 p -107.13 135.15 49.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.05 99.61 2.53 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 8' ' ' VAL . 84.5 t -105.27 66.56 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mt 66.35 146.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -89.59 -63.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.6 p -174.33 85.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -162.1 122.77 2.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.532 HG21 ' HB2' ' A' ' 66' ' ' ALA . 43.4 m -151.08 130.96 13.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mt -103.89 155.13 18.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.575 HD12 ' CD1' ' A' ' 52' ' ' TRP . 16.0 tt -64.73 -38.17 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -78.42 -6.22 54.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.256 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.92 -33.74 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.84 HG21 ' CH2' ' A' ' 52' ' ' TRP . 40.9 t -88.82 -19.2 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -89.5 -41.23 12.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.471 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -37.69 -53.09 2.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.569 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.02 -54.74 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.76 HD13 ' CD2' ' A' ' 48' ' ' LEU . 9.2 mt -45.04 -32.12 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -82.16 -42.79 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 3.3 mm-40 -53.8 -43.3 69.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.833 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -61.55 -43.13 99.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.87 HD22 HD12 ' A' ' 45' ' ' LEU . 29.0 tp -50.83 -64.73 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -41.07 -40.88 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -54.81 37.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.9 m -60.88 -46.17 91.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 108.329 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.18 -41.7 8.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.579 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.21 44.9 1.38 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.499 ' HB3' HD21 ' A' ' 112' ' ' LEU . 25.4 m-70 -164.76 -67.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.75 . . . . 0.0 109.599 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.401 HG22 ' HB ' ' A' ' 37' ' ' VAL . 1.2 m -72.49 153.86 41.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.43 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HB2' HG23 ' A' ' 37' ' ' VAL . 22.4 mtpt -44.19 123.53 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -43.75 -48.95 8.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -49.59 -51.51 36.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.452 HG23 ' HB2' ' A' ' 34' ' ' LYS . 89.1 t -57.67 -53.18 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.9 t -48.15 -56.45 7.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 108.342 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -46.92 -44.37 19.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -64.61 -43.09 94.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.69 -56.91 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.834 ' HB3' HD21 ' A' ' 26' ' ' LEU . 1.8 p -49.76 -39.16 36.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -36.3 63.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.462 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 4.7 mmt180 -71.27 -49.11 46.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.87 HD12 HD22 ' A' ' 26' ' ' LEU . 10.7 mt -49.81 -55.2 15.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.08 -46.01 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 97' ' ' GLN . 3.9 tt -66.98 -55.68 13.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.76 ' CD2' HD13 ' A' ' 22' ' ' LEU . 2.6 tp -40.29 -55.06 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -57.3 -48.27 79.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 54' ' ' GLY . 2.3 mt-10 -54.41 -57.63 10.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.81 -38.49 82.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.84 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.1 t90 -64.49 -64.06 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -55.13 -59.78 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.36 -38.3 0.25 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.0 33.53 6.0 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -95.0 -33.96 12.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.9 mt -64.05 152.07 41.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.555 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -80.79 158.39 25.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.978 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.645 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 6.0 mm -65.5 -43.41 62.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -75.04 -2.61 12.76 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.524 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.7 t -90.28 -25.39 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.582 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 30.1 mttt -88.71 -42.51 11.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -34.94 75.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -44.81 27.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.452 ' CE ' HD11 ' A' ' 22' ' ' LEU . 18.9 mmm -51.2 -59.18 4.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.532 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -39.67 -40.72 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.0 mt -54.32 -64.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.832 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -49.6 -43.36 46.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.832 ' N ' HD23 ' A' ' 68' ' ' LEU . 49.9 t -59.26 -59.77 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -43.86 -42.31 5.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.461 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 9.1 mm-40 -64.27 -53.96 40.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.416 HD12 HG12 ' A' ' 106' ' ' ILE . 3.4 tt -48.23 -36.13 13.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.55 -48.24 73.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -75.74 -1.77 26.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.583 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.2 m170 79.05 10.19 1.64 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 109.595 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -76.55 55.22 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.564 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 0.9 OUTLIER -48.13 -53.29 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 107.998 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 77' ' ' TRP . 3.1 t0 -40.56 -42.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.461 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -71.96 -50.38 29.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.78 -52.85 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.53 -51.16 71.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -43.21 -61.66 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.472 HD13 ' N ' ' A' ' 68' ' ' LEU . 5.9 mt -58.45 -52.38 60.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.552 ' HB2' HD12 ' A' ' 68' ' ' LEU . 2.8 t-80 -42.43 -59.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.62 ' O ' HG23 ' A' ' 89' ' ' VAL . 21.6 mmt85 -48.42 -51.14 28.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.5 m -47.98 -43.08 29.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.98 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 91' ' ' HIS . 38.2 mt -70.34 -33.49 71.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.414 ' HG3' ' NE2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -76.11 -9.06 58.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 85' ' ' ARG . 56.3 t -79.99 -55.27 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -95.62 -68.93 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.541 ' O ' HG13 ' A' ' 95' ' ' VAL . 8.7 m-70 -81.69 64.1 6.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.604 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.405 ' CG1' ' N ' ' A' ' 93' ' ' THR . 2.8 p -82.24 -45.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.405 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -70.09 -54.32 13.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -44.19 -53.62 6.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 91' ' ' HIS . 13.6 m -65.58 -34.21 68.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.418 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 2.2 p -49.85 167.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.434 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.0 tt0 79.99 0.02 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.536 ' HZ3' HG21 ' A' ' 102' ' ' VAL . 68.9 p-90 -166.15 -43.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.423 ' HE2' ' HB ' ' A' ' 95' ' ' VAL . 32.1 tpp -36.75 -32.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 101' ' ' GLY . 28.7 m -55.44 -51.53 56.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.491 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -52.02 -59.98 8.13 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.536 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 98.5 t -43.37 -54.89 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -42.89 -60.36 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -55.67 -51.77 66.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.833 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -43.19 -58.67 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.416 HG12 HD12 ' A' ' 72' ' ' LEU . 48.0 mt -41.34 -64.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.62 -53.9 5.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -52.18 -65.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.809 ' HA ' HD12 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -42.38 -48.85 5.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.564 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 1.6 ttpt -58.85 -62.45 1.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t -43.19 -49.44 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.039 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.809 HD12 ' HA ' ' A' ' 109' ' ' LYS . 13.1 mt -49.59 -62.14 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.7 t -47.63 -60.56 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.03 93.05 2.04 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.82 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 29.2 t -114.61 148.37 38.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.3 m -154.09 138.27 16.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 p 58.3 112.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 110.064 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 p -143.87 150.61 38.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.23 -163.6 25.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.1 157.9 42.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.08 -69.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.952 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.68 102.38 2.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.672 HG13 HG13 ' A' ' 9' ' ' ILE . 8.9 p -149.34 168.47 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.747 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.672 HG13 HG13 ' A' ' 8' ' ' VAL . 12.6 mt 71.34 -120.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.538 ' N ' HG22 ' A' ' 9' ' ' ILE . 4.9 mm-40 38.92 89.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.26 -49.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 63.57 125.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.428 HG21 ' HB2' ' A' ' 66' ' ' ALA . 2.0 m -104.3 140.3 38.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mt -99.38 147.63 25.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.346 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.471 HD12 ' CD1' ' A' ' 52' ' ' TRP . 15.3 tt -65.75 -40.07 86.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.21 -6.61 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.57 -25.52 15.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.945 HG21 ' CH2' ' A' ' 52' ' ' TRP . 88.9 t -96.11 -22.6 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.92 -22.42 19.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.513 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -59.41 -51.14 83.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.6 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.98 -43.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.661 HD12 ' O ' ' A' ' 18' ' ' VAL . 32.5 mt -51.28 -46.91 62.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -68.51 -41.07 80.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.468 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 8.3 mm-40 -54.18 -28.75 42.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.792 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -77.64 -44.85 26.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.857 HD21 ' HB3' ' A' ' 42' ' ' SER . 21.2 tp -57.61 -67.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -36.49 -37.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.96 -52.29 13.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.687 ' SG ' HD12 ' A' ' 26' ' ' LEU . 3.1 p -51.4 -33.13 28.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.332 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -39.99 -60.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.587 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.43 ' O ' ' CD2' ' A' ' 32' ' ' HIS . . . -89.76 49.1 3.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.622 ' CG ' HD21 ' A' ' 112' ' ' LEU . 22.7 m-70 -164.81 -71.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.613 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' CYS . 11.4 m -70.93 146.63 49.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.446 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.63 156.08 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -64.74 -60.02 3.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.413 ' N ' ' HD2' ' A' ' 35' ' ' LYS . 43.0 mt-30 -38.94 -45.69 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.537 HG12 HD12 ' A' ' 41' ' ' ILE . 98.6 t -67.35 -52.94 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.6 t -51.5 -54.8 23.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.317 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -52.75 -37.57 59.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -68.37 -59.49 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.674 HG21 HD12 ' A' ' 105' ' ' LEU . 32.6 mt -50.13 -59.34 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.235 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.857 ' HB3' HD21 ' A' ' 26' ' ' LEU . 48.4 p -45.16 -54.33 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -48.23 -41.14 26.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.262 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.402 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 64.2 mmt-85 -66.41 -30.05 70.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.552 HD12 HD22 ' A' ' 26' ' ' LEU . 22.5 mt -67.05 -57.0 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.13 -28.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.931 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.3 tt -79.41 -62.81 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.529 HD13 ' CH2' ' A' ' 98' ' ' TRP . 12.6 tp -42.21 -33.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -75.75 -44.07 43.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.5 pt-20 -67.05 -42.34 84.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.532 ' HG3' HD23 ' A' ' 47' ' ' LEU . 63.4 mt-30 -69.31 -39.42 78.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.945 ' CH2' HG21 ' A' ' 18' ' ' VAL . 1.8 t90 -64.76 -57.67 8.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.013 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -63.53 -58.97 5.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.27 -31.57 0.07 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 93.07 24.62 22.0 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -92.13 -6.4 50.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.745 HD12 ' CA ' ' A' ' 52' ' ' TRP . 88.5 mt -96.4 137.85 34.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.518 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -72.63 158.68 35.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.986 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 3.6 mt -61.96 -45.34 91.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -74.95 -3.27 13.67 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.432 HG22 ' CG ' ' A' ' 91' ' ' HIS . 2.6 t -90.72 -25.84 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.585 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 6.5 mttt -87.46 -41.58 13.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -37.2 83.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.6 ' HB3' HD11 ' A' ' 87' ' ' LEU . 2.0 mtt180 -73.69 -26.14 60.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.518 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -73.23 -54.78 7.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.428 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -49.45 -38.12 28.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 67' ' ' LEU . 25.6 mt -53.9 -65.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.932 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.61 -41.61 22.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.932 ' N ' HD23 ' A' ' 68' ' ' LEU . 50.6 t -61.7 -63.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.574 ' HA ' HD12 ' A' ' 73' ' ' LEU . 36.7 mm-40 -38.7 -39.14 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.496 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 8.2 mm-40 -68.74 -52.55 29.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.479 HD21 ' HE2' ' A' ' 109' ' ' LYS . 1.3 tt -50.39 -27.53 6.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' A' ' 70' ' ' GLN . 57.1 mt -71.05 -48.7 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.463 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 10.1 m-70 -76.09 -1.86 28.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.625 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.495 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.4 m170 85.57 -2.81 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.582 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -65.41 73.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.1 m95 -67.46 -38.96 85.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.038 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.23 -38.08 65.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.496 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -74.28 -50.32 19.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.99 -52.09 5.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -51.35 69.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -45.74 -54.1 8.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 64' ' ' ARG . 9.6 mt -65.61 -49.95 74.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.609 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -49.76 -37.98 32.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.554 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.589 ' O ' HG23 ' A' ' 89' ' ' VAL . 17.5 mmt85 -69.92 -53.35 18.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.4 m -48.5 -30.05 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.6 HD11 ' HB3' ' A' ' 64' ' ' ARG . 9.2 mt -77.56 -42.73 34.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -9.1 40.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 85' ' ' ARG . 71.6 t -76.91 -61.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -94.18 -69.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.606 ' O ' HG13 ' A' ' 95' ' ' VAL . 4.3 m-70 -76.57 60.34 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.635 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.8 p -79.16 -43.87 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.16 -52.85 14.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -45.46 -54.02 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 91' ' ' HIS . 13.3 m -64.65 -32.55 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 p -53.35 171.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.931 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.8 mt-30 75.58 1.59 3.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.604 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 69.6 p-90 -166.35 -44.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.027 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 33.8 tpp -37.97 -50.11 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.9 m -41.87 -43.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -62.27 -71.02 0.88 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 101' ' ' GLY . 81.9 t -40.13 -52.89 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -57.42 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -57.18 -49.57 75.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.792 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -41.35 -58.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.77 HD11 HD11 ' A' ' 68' ' ' LEU . 41.0 mt -41.26 -63.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.18 -55.82 3.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -51.1 -61.15 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.54 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 28.9 mmmt -44.59 -54.19 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -50.96 -49.87 59.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.42 -53.73 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.622 HD21 ' CG ' ' A' ' 32' ' ' HIS . 86.9 mt -43.81 -64.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.14 -62.23 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 75.35 75.88 0.8 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 153.61 42.2 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.536 1.808 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 76.6 p -55.05 125.54 20.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.7 m -62.38 159.9 14.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 0.0 110.954 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 p -74.6 170.12 16.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.949 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.64 -58.79 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.59 -171.98 24.42 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 m -139.64 150.73 45.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.13 152.67 32.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.04 124.47 1.37 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 p -171.43 154.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.8 mt 66.2 137.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -101.09 166.19 10.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.13 -59.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.981 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 62.15 108.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.636 HG21 ' HB2' ' A' ' 66' ' ' ALA . 3.4 m -119.28 136.02 54.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -84.08 139.95 32.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.577 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 13.9 tt -61.33 -41.24 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.495 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 2.5 mm-40 -67.02 -20.93 65.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.14 -29.5 48.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.961 HG21 ' CH2' ' A' ' 52' ' ' TRP . 37.2 t -91.21 -19.46 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -92.57 -30.14 15.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -48.74 -51.71 51.43 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.671 ' HG2' HG11 ' A' ' 69' ' ' VAL . 18.3 Cg_endo -75.01 -50.94 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.536 ' CD1' HD21 ' A' ' 48' ' ' LEU . 10.8 mt -46.51 -40.57 12.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -73.97 -44.57 54.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -51.5 -43.95 62.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.501 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -61.93 -50.09 73.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 42' ' ' SER . 18.4 tp -51.16 -57.52 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -39.97 -38.51 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.87 -48.97 32.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' THR . 61.4 m -58.83 -52.75 64.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.267 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.88 -31.17 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.547 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.81 35.41 4.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -160.8 -63.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 0.742 . . . . 0.0 109.574 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.498 ' CG2' ' OE2' ' A' ' 108' ' ' GLU . 3.4 m -68.43 166.07 17.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.422 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' N ' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -51.5 171.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -44.36 12.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -69.98 -30.97 68.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.1 t -75.57 -40.73 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 9.0 t -65.93 -52.47 49.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 108.321 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -34.37 57.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -65.48 -47.75 75.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.8 mt -58.41 -56.99 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.784 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -47.93 -47.94 32.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -46.8 -40.29 13.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.466 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 4.3 mmt180 -70.07 -50.49 40.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.687 HD12 HD22 ' A' ' 26' ' ' LEU . 13.2 mt -49.05 -53.83 18.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.25 -46.27 4.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.426 HD21 ' HG3' ' A' ' 51' ' ' GLN . 3.6 tt -69.63 -55.97 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.536 HD21 ' CD1' ' A' ' 22' ' ' LEU . 2.8 tp -40.48 -52.42 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.584 ' HB2' HD11 ' A' ' 19' ' ' LEU . 10.8 ttt180 -61.95 -64.72 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -40.78 -50.76 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.426 ' HG3' HD21 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -62.04 -40.81 97.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.961 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.0 t90 -63.17 -62.18 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 108.041 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -54.53 -59.83 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -37.6 -36.38 0.27 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.25 25.98 10.59 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -85.37 -32.29 22.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 0.727 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 52' ' ' TRP . 46.6 mt -70.91 142.9 51.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.518 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -77.33 159.14 29.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.788 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 3.5 mt -60.21 -45.99 97.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.97 -6.12 17.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.555 HG22 ' CG ' ' A' ' 91' ' ' HIS . 6.4 t -89.38 -21.25 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.589 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -91.48 -43.49 9.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.788 ' NZ ' HG22 ' A' ' 59' ' ' ILE . 3.6 mtmt -54.89 -35.97 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.444 ' HB3' HD11 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -75.3 -35.63 61.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.49 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.61 -54.85 33.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.636 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -51.35 -37.88 50.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.4 mt -58.42 -67.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.828 HD12 ' O ' ' A' ' 80' ' ' ALA . 5.2 tt -42.36 -42.67 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.671 HG11 ' HG2' ' A' ' 21' ' ' PRO . 59.1 t -62.09 -51.37 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -49.03 -30.53 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.546 ' CD ' ' HB1' ' A' ' 79' ' ' ALA . 4.3 mm-40 -78.05 -41.42 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.568 HD21 ' HG3' ' A' ' 109' ' ' LYS . 0.8 OUTLIER -62.89 -21.39 65.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' A' ' 21' ' ' PRO . 96.9 mt -79.22 -37.29 38.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -87.17 -2.55 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.607 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.3 m170 79.94 11.38 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.63 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 22.9 mm-40 -79.73 52.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.505 ' CG ' ' HB2' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -43.66 -55.02 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 107.977 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.24 -53.19 5.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.546 ' HB1' ' CD ' ' A' ' 71' ' ' GLU . . . -59.29 -51.64 69.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.828 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -47.82 -46.61 31.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -55.88 29.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -40.03 -52.13 2.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.455 HD13 ' N ' ' A' ' 68' ' ' LEU . 18.2 mt -59.01 -60.44 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.48 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -40.17 -48.33 2.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.575 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 88' ' ' MET . 15.4 mmt180 -54.13 -54.26 41.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.1 m -48.39 -35.9 13.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.466 ' HB3' HG11 ' A' ' 95' ' ' VAL . 7.7 mt -72.2 -33.21 67.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.441 ' O ' ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -74.95 -7.95 55.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 79.3 t -79.63 -58.04 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -95.67 -70.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.659 ' O ' HG22 ' A' ' 95' ' ' VAL . 1.7 m-70 -79.37 63.72 4.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.591 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 88' ' ' MET . 2.1 p -86.05 -16.15 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 96' ' ' SER . 1.0 OUTLIER -95.52 -61.98 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.469 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -43.65 -52.84 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' ' 91' ' ' HIS . 15.7 m -62.2 -35.16 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.479 ' O ' ' CD1' ' A' ' 98' ' ' TRP . 1.1 p -51.66 178.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 96' ' ' SER . 0.9 OUTLIER 69.16 3.84 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.712 ' HZ3' HG21 ' A' ' 102' ' ' VAL . 68.9 p-90 -167.96 -42.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.01 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.483 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -35.83 -34.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 101' ' ' GLY . 18.4 m -57.25 -53.62 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.551 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -48.72 -55.78 10.73 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.712 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 61.3 t -46.18 -53.64 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -46.58 -46.23 19.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -65.74 -52.27 52.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.501 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -46.82 -51.86 15.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.518 HD11 HD11 ' A' ' 68' ' ' LEU . 76.3 mt -51.1 -63.96 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.37 -45.68 55.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.498 ' OE2' ' CG2' ' A' ' 33' ' ' THR . 2.5 mt-10 -55.94 -61.95 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.568 ' HG3' HD21 ' A' ' 72' ' ' LEU . 9.8 mmmt -45.24 -58.29 3.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.505 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 2.1 ttpm? -50.97 -51.7 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.6 -55.27 9.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.8 mt -42.28 -58.18 2.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.1 t -40.81 -64.57 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 124.96 96.56 1.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 173.28 14.78 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 37.7 p -121.38 135.74 55.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.8 t -156.7 153.68 28.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.0 93.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 110.065 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -164.06 169.72 17.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.91 119.22 1.5 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 t -155.97 131.82 9.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.974 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.3 m -99.14 139.64 34.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.026 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.04 -69.13 0.22 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 8' ' ' VAL . 63.2 t -92.15 67.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 tt -68.57 178.12 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 61.59 123.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 t 68.92 57.35 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -176.54 106.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.512 HG21 ' HB2' ' A' ' 66' ' ' ALA . 2.0 m -122.44 136.34 54.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.1 mt -99.97 148.59 24.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.357 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.561 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 16.5 tt -60.48 -46.26 95.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.497 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 39.3 mt-10 -67.39 -19.68 65.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.06 -29.43 43.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.971 HG21 ' CH2' ' A' ' 52' ' ' TRP . 43.7 t -93.39 -18.61 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -92.75 -28.41 16.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.505 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -51.3 -51.28 70.15 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.762 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.4 Cg_endo -75.0 -50.04 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.546 1.814 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.727 HD13 ' CD2' ' A' ' 48' ' ' LEU . 10.5 mt -47.7 -42.03 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.21 -42.72 59.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -53.28 -42.95 67.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.628 ' HB1' ' HD3' ' A' ' 109' ' ' LYS . . . -62.1 -53.85 49.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.86 HD21 ' HB3' ' A' ' 42' ' ' SER . 29.9 tp -41.9 -53.91 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -43.08 -44.18 4.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -63.8 -53.35 52.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' THR . 88.9 m -55.97 -43.87 77.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 108.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.17 -62.36 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.635 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -91.3 49.2 2.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -163.37 -70.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 109.616 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' CYS . 2.5 m -71.02 155.78 40.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm -46.6 164.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -71.93 -57.9 3.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.51 -59.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.7 t -48.5 -57.98 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.0 t -50.14 -52.76 32.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.42 -40.81 60.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -68.49 -62.19 1.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.4 mt -41.86 -51.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.86 ' HB3' HD21 ' A' ' 26' ' ' LEU . 48.1 p -60.01 -46.53 89.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.7 -36.64 25.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.467 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 4.2 mmt180 -70.91 -46.38 62.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.523 HD12 HD22 ' A' ' 26' ' ' LEU . 15.3 mt -47.24 -54.75 10.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.03 -24.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.81 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.4 tt -85.73 -60.47 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.727 ' CD2' HD13 ' A' ' 22' ' ' LEU . 11.0 tp -43.54 -34.74 1.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 -73.75 -41.03 63.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.8 pt-20 -68.29 -41.17 81.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.417 ' N ' ' CG ' ' A' ' 50' ' ' GLU . 49.7 mt-30 -71.32 -38.68 71.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.971 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.2 t-105 -66.19 -57.91 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 108.029 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -64.84 -58.26 6.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -36.66 -32.27 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 91.97 21.01 34.52 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -9.69 53.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.4 mt -89.07 153.43 20.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.631 ' OG ' HG23 ' A' ' 61' ' ' VAL . 13.5 p -90.33 156.74 18.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.0 mt -58.95 -45.66 99.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.99 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.631 HG23 ' OG ' ' A' ' 58' ' ' SER . 1.9 t -90.92 -25.81 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.602 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 5.2 mttt -87.71 -40.21 14.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -38.5 91.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -74.75 -27.35 60.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.515 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -70.6 -55.08 9.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.957 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.512 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -51.09 -39.2 55.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.423 ' HB3' HD13 ' A' ' 83' ' ' ILE . 30.1 mt -52.85 -65.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.014 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.09 -41.36 17.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.014 ' N ' HD23 ' A' ' 68' ' ' LEU . 50.9 t -62.17 -63.97 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 69' ' ' VAL . 85.3 mm-40 -38.17 -40.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.348 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . 8.2 mm-40 -67.2 -53.04 34.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tt -52.11 -31.3 30.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.762 HD21 ' HB3' ' A' ' 21' ' ' PRO . 77.5 mt -65.55 -47.8 74.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.512 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 6.8 m170 -76.64 -1.77 29.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.589 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.516 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 3.2 m170 89.0 -7.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -61.64 83.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.516 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -77.82 -31.03 51.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -35.74 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -77.38 -49.27 15.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.84 -52.64 6.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.28 -52.87 62.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -42.9 -49.3 5.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.423 HD13 ' HB3' ' A' ' 67' ' ' LEU . 16.6 mt -70.55 -54.91 16.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.616 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -43.72 -42.48 5.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.581 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.739 ' O ' HG23 ' A' ' 89' ' ' VAL . 7.2 mmt180 -65.74 -46.37 79.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.1 m -55.06 -28.31 51.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.443 ' HB3' HG11 ' A' ' 95' ' ' VAL . 9.5 mt -78.27 -42.72 30.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.459 ' SD ' HG21 ' A' ' 95' ' ' VAL . 98.6 mmm -68.07 -8.34 37.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 85' ' ' ARG . 68.8 t -79.13 -60.14 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -95.75 -69.61 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.517 ' ND1' HG23 ' A' ' 61' ' ' VAL . 6.5 m-70 -77.8 64.65 3.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.599 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.418 HG23 ' HA ' ' A' ' 88' ' ' MET . 2.0 p -91.72 -30.71 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -83.9 -19.22 35.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -81.95 -61.59 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.536 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 24.0 m -55.24 -40.27 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 66.5 p -45.79 163.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.81 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.9 tt0 84.62 -0.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.583 ' CH2' HD13 ' A' ' 48' ' ' LEU . 69.0 p-90 -165.51 -44.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 108.062 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' TRP . 29.8 tpp -36.35 -36.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.467 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 27.5 m -48.95 -50.16 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -59.2 -61.79 6.92 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.422 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 75.5 t -48.97 -52.12 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 0.743 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.23 -54.74 4.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.424 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -60.01 -47.93 83.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.516 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -40.88 -57.93 1.83 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 65.3 mt -41.12 -66.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.66 -54.16 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -53.08 -64.06 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.628 ' HD3' ' HB1' ' A' ' 25' ' ' ALA . 4.9 mmmt -42.66 -59.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.421 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 11.4 tttm -52.79 -47.76 67.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.81 -51.28 40.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.8 mt -50.47 -63.47 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.61 -40.32 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.08 88.16 0.15 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -57.06 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -120.05 137.9 53.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.91 110.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.1 m -91.02 -60.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 p 54.78 170.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.22 138.81 18.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.68 61.46 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.6 m -111.96 -63.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.41 -165.13 12.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -165.63 147.92 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.7 mt 52.74 82.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -169.33 120.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.2 m 48.5 91.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.024 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.54 -178.93 4.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.252 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -135.63 144.01 45.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.408 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -105.34 141.88 36.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.41 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 8.7 tt -59.96 -39.15 79.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.37 -9.21 39.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.93 -22.76 15.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.951 HG21 ' CH2' ' A' ' 52' ' ' TRP . 57.5 t -96.16 -22.21 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.55 -36.41 13.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 2.2 mmt180 -44.41 -51.22 20.74 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.87 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.0 -52.32 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.72 HD13 ' CD2' ' A' ' 48' ' ' LEU . 13.6 mt -48.13 -38.97 19.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.06 -40.69 64.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 6.4 mm-40 -53.69 -25.4 18.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.932 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -76.9 -51.96 10.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 42' ' ' SER . 27.0 tp -43.64 -66.74 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.84 -48.64 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -43.01 73.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LEU . 59.9 m -65.74 -44.52 85.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -54.23 -20.91 7.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.637 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.18 22.3 25.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.436 ' CG ' HD22 ' A' ' 112' ' ' LEU . 44.2 m-70 -156.96 -70.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 109.643 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 1.121 HG22 HG11 ' A' ' 37' ' ' VAL . 6.6 m -58.09 156.01 10.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HB2' HG12 ' A' ' 37' ' ' VAL . 1.7 mmpt? -55.47 -166.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -92.37 -66.71 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -42.38 -42.46 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.121 HG11 HG22 ' A' ' 33' ' ' THR . 5.6 p -58.17 -57.37 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.549 ' H ' HG13 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -56.63 -53.36 58.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 108.269 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -45.29 -31.04 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.66 -64.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.956 HG21 HD12 ' A' ' 105' ' ' LEU . 39.2 mt -45.81 -59.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.585 ' HB3' HD21 ' A' ' 26' ' ' LEU . 35.0 p -46.38 -48.91 18.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -35.39 61.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.464 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 19.1 mmt180 -74.78 -33.53 62.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.486 HD12 HD22 ' A' ' 26' ' ' LEU . 9.1 mt -62.91 -58.1 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.03 -41.71 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.009 HD13 ' O ' ' A' ' 97' ' ' GLN . 1.3 tt -69.09 -54.14 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.735 HD13 ' CH2' ' A' ' 98' ' ' TRP . 7.2 tp -40.6 -44.85 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -67.99 -49.14 63.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 54' ' ' GLY . 38.3 mt-10 -55.6 -50.21 70.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -66.07 -37.69 86.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.951 ' CH2' HG21 ' A' ' 18' ' ' VAL . 1.8 t-105 -65.61 -63.59 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -58.14 -56.33 23.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -35.99 -37.71 0.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.75 4.39 48.85 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' O ' ' CD ' ' A' ' 94' ' ' GLU . 2.0 mmmt -66.23 -23.28 66.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' A' ' 52' ' ' TRP . 81.0 mt -82.62 145.96 29.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.636 ' OG ' HG23 ' A' ' 61' ' ' VAL . 15.3 p -81.04 157.45 25.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.613 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.3 mt -59.4 -45.56 98.97 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.04 -3.46 13.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.657 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 2.0 t -90.99 -26.56 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.595 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 4.5 mttt -86.54 -41.47 14.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -35.97 80.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.431 ' O ' HG21 ' A' ' 83' ' ' ILE . 2.1 mtt180 -72.8 -43.62 62.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.608 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -53.98 -58.61 6.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' MET . . . -39.28 -37.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.508 ' HB2' HG21 ' A' ' 83' ' ' ILE . 9.6 mt -58.04 -62.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.836 HD23 ' N ' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -48.67 -39.74 25.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.836 ' N ' HD23 ' A' ' 68' ' ' LEU . 42.4 t -62.49 -64.34 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.417 ' HA ' HD12 ' A' ' 73' ' ' LEU . 33.9 mm-40 -37.98 -39.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.433 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 8.7 mm-40 -69.95 -52.72 22.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tt -52.54 -23.79 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.87 HD21 ' HB3' ' A' ' 21' ' ' PRO . 89.4 mt -73.86 -47.84 35.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 13.2 m170 -77.08 -2.04 32.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.6 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 74' ' ' HIS . 1.4 m170 88.62 -5.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.26 80.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.51 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.1 m95 -74.87 -32.73 61.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 108.01 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -60.71 -37.28 81.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.433 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -74.22 -49.84 21.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.409 ' HB1' ' HG ' ' A' ' 68' ' ' LEU . . . -47.73 -49.77 27.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.92 -38.97 80.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -57.83 -60.61 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.508 HG21 ' HB2' ' A' ' 67' ' ' LEU . 5.1 mt -59.92 -37.47 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.482 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -59.65 -42.34 92.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.602 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.988 ' O ' HG23 ' A' ' 89' ' ' VAL . 22.9 mmt180 -60.35 -53.14 61.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -53.29 -45.39 68.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 110.031 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 mt -64.34 -37.45 87.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.519 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -80.32 -8.85 59.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 85' ' ' ARG . 78.6 t -87.01 -43.36 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -95.4 -69.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.657 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 1.9 m-70 -90.25 66.16 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 88' ' ' MET . 1.5 p -78.83 -18.68 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.433 ' O ' ' CB ' ' A' ' 96' ' ' SER . 40.2 p -89.44 -60.29 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 56' ' ' LYS . 5.9 mm-40 -43.55 -55.25 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.603 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 14.6 m -60.21 -32.72 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.463 ' O ' ' CD1' ' A' ' 98' ' ' TRP . 1.4 p -54.01 172.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 1.009 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.3 mt-30 73.31 7.59 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.735 ' CH2' HD13 ' A' ' 48' ' ' LEU . 64.7 p-90 -171.74 -42.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.507 ' SD ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -36.51 -48.96 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.971 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.464 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 29.0 m -40.0 -46.28 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -59.42 -64.88 3.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.715 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 88.5 t -40.65 -54.19 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.659 ' HA ' HD12 ' A' ' 106' ' ' ILE . 25.6 tttm -44.67 -51.3 9.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -64.15 -55.15 23.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.956 HD12 HG21 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -42.59 -49.84 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 103' ' ' LYS . 44.0 mt -46.33 -67.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.25 -47.91 46.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.701 ' OE2' HD11 ' A' ' 41' ' ' ILE . 23.7 mt-10 -51.48 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.501 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 22.4 mmmt -40.94 -54.04 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.491 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 74.9 tttt -51.52 -49.08 62.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.94 -49.27 15.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.436 HD22 ' CG ' ' A' ' 32' ' ' HIS . 35.1 mt -52.08 -46.73 65.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.7 -147.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.48 77.2 1.2 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 167.5 26.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.478 1.778 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.8 t -140.57 -69.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.21 162.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.055 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -173.78 147.81 1.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.19 149.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.12 124.52 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.564 1.165 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 m -159.81 143.33 14.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.951 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -95.16 171.09 8.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.39 132.0 2.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 p -162.6 104.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.3 mm -110.48 139.3 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -110.88 114.18 27.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -177.8 97.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -58.3 122.55 13.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.256 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.725 HG21 ' HB2' ' A' ' 66' ' ' ALA . 2.0 m -124.89 141.16 52.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.456 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mt -107.39 149.0 28.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.573 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 16.5 tt -56.57 -48.85 79.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 47.1 mt-10 -65.46 -10.13 31.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.23 -23.08 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.969 HG21 ' CH2' ' A' ' 52' ' ' TRP . 99.8 t -96.03 -22.63 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.02 -34.1 13.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.541 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 1.1 mmt85 -45.45 -49.14 34.88 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.728 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.2 Cg_endo -75.02 -59.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.502 HD11 ' CE ' ' A' ' 65' ' ' MET . 21.2 mt -45.17 -33.96 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -68.01 -55.2 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.489 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -46.6 -24.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.598 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -74.55 -58.12 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.718 HD11 ' HB3' ' A' ' 42' ' ' SER . 33.2 tp -42.3 -65.91 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' OE2' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -46.29 -42.85 15.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.453 ' N ' ' OE2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -64.03 -37.77 88.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.7 m -69.74 -48.86 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.306 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -48.72 -35.15 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.543 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.43 36.23 4.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -167.29 -76.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.603 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -60.9 153.58 24.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -48.51 172.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.62 -61.6 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -41.79 -39.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.03 -56.55 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -52.36 -51.01 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.352 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -49.08 -42.8 40.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.32 -63.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.709 HG21 HD12 ' A' ' 105' ' ' LEU . 14.8 mt -41.95 -65.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.718 ' HB3' HD11 ' A' ' 26' ' ' LEU . 78.8 p -43.74 -55.59 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -35.81 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 98' ' ' TRP . 20.6 mmt-85 -74.39 -49.94 20.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.417 HD12 HD22 ' A' ' 26' ' ' LEU . 19.2 mt -48.46 -51.08 28.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.34 -30.71 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 97' ' ' GLN . 4.4 tt -79.24 -61.63 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.585 HD13 ' CZ2' ' A' ' 98' ' ' TRP . 14.6 tp -40.92 -35.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -74.28 -45.41 47.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.6 pt-20 -64.33 -39.75 94.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.483 ' HG3' HD23 ' A' ' 47' ' ' LEU . 56.5 mt-30 -71.63 -36.95 70.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.969 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.1 t90 -67.12 -56.05 11.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -66.52 -57.25 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -37.08 -33.65 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 53' ' ' ALA . . . 93.86 28.87 10.44 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -96.46 -12.24 24.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 0.733 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 52' ' ' TRP . 94.6 mt -88.58 144.56 26.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.533 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -83.76 152.36 24.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.973 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 4.9 mt -56.77 -45.24 99.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.02 -5.07 16.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.484 ' CG2' ' CG ' ' A' ' 91' ' ' HIS . 1.0 OUTLIER -91.11 -17.97 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.612 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -93.93 -50.55 5.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -28.77 52.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.506 ' O ' HG21 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -81.86 -37.27 27.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.502 ' CE ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -61.76 -60.54 3.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.725 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -38.8 -35.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.605 ' HB2' HG21 ' A' ' 83' ' ' ILE . 10.0 mt -53.22 -63.24 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.852 HD12 ' O ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -49.81 -42.07 46.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.546 HG11 ' HG2' ' A' ' 21' ' ' PRO . 41.4 t -60.82 -63.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.6 ' HA ' HD12 ' A' ' 73' ' ' LEU . 67.5 mm-40 -37.73 -37.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.467 ' OE2' ' HB1' ' A' ' 79' ' ' ALA . 7.9 mm-40 -71.44 -51.23 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 69' ' ' VAL . 2.0 tt -52.48 -21.39 3.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.728 HD21 ' HB3' ' A' ' 21' ' ' PRO . 76.5 mt -76.47 -47.8 21.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.491 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 7.8 m170 -78.0 -1.95 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.535 ' O ' ' CD1' ' A' ' 77' ' ' TRP . 2.7 m170 86.44 -2.17 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.598 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -65.69 72.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.535 ' CD1' ' O ' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -67.86 -37.21 81.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 108.012 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.27 -32.15 64.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.467 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -80.75 -49.21 11.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.852 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -42.57 -49.3 5.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -64.84 -42.43 94.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.29 -58.21 5.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.605 HG21 ' HB2' ' A' ' 67' ' ' LEU . 4.1 mt -63.31 -50.26 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.474 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -44.8 -50.54 10.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.604 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.605 ' O ' HG23 ' A' ' 89' ' ' VAL . 23.7 mmt180 -55.29 -63.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.8 m -46.53 -36.54 6.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' A' ' 64' ' ' ARG . 3.5 mt -71.96 -35.73 69.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.804 ' HG3' HG23 ' A' ' 92' ' ' VAL . 11.5 ttm -81.16 -9.25 59.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 85' ' ' ARG . 55.2 t -76.69 -53.52 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -95.38 -68.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.486 ' O ' HG22 ' A' ' 95' ' ' VAL . 33.0 m-70 -75.58 62.2 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.573 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.804 HG23 ' HG3' ' A' ' 88' ' ' MET . 2.7 p -88.37 -25.99 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -87.06 -9.65 54.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.401 ' OE1' ' OG ' ' A' ' 58' ' ' SER . 8.5 mt-10 -97.61 -61.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.356 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 11.6 m -55.93 -43.59 75.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 28.9 p -46.04 160.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.62 ' O ' HD13 ' A' ' 47' ' ' LEU . 4.6 tt0 86.53 0.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.633 ' HZ3' HG21 ' A' ' 102' ' ' VAL . 69.4 p-90 -166.15 -43.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -34.84 -42.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.461 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 24.9 m -44.22 -50.25 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -54.91 -58.53 13.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.633 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 92.7 t -47.92 -53.35 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -42.02 -49.13 4.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -70.41 -50.48 38.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.709 HD12 HG21 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -40.77 -52.53 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.682 HD11 HD11 ' A' ' 68' ' ' LEU . 34.1 mt -46.13 -70.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -44.94 -50.11 10.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.686 ' OE2' HD11 ' A' ' 41' ' ' ILE . 50.3 mt-10 -51.93 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.254 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.454 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 8.7 mmmt -46.43 -47.54 19.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.508 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 15.9 tttp -51.37 -46.96 62.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.48 -63.16 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -40.56 -53.21 2.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.9 t -39.73 -62.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.0 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -174.23 -96.23 0.1 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 157.47 42.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.3 t -123.57 155.11 38.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 53.7 p -52.57 110.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.992 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -155.07 153.54 31.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 0.0 109.985 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -60.17 166.67 2.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.41 -158.99 24.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.557 1.16 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -159.43 145.61 16.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -103.16 -54.9 2.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.983 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.97 172.23 47.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 p -163.69 138.02 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.792 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.7 mt -136.59 130.96 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -145.7 120.05 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.4 t -131.09 -91.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -114.06 107.36 15.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.458 HG21 ' HB2' ' A' ' 66' ' ' ALA . 2.8 m -95.13 137.83 33.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.385 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mt -104.22 157.74 16.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.566 ' HB ' ' CD1' ' A' ' 52' ' ' TRP . 20.5 tt -60.71 -57.48 11.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.524 ' N ' HG23 ' A' ' 15' ' ' ILE . 33.3 mt-10 -60.14 -14.64 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.29 -36.36 34.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.855 HG21 ' CH2' ' A' ' 52' ' ' TRP . 59.3 t -89.21 -15.1 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 15' ' ' ILE . 0.6 OUTLIER -91.06 -43.23 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.486 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -39.33 -52.18 4.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.937 ' HB3' HD21 ' A' ' 73' ' ' LEU . 18.1 Cg_endo -75.06 -57.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.612 HD13 ' CD2' ' A' ' 48' ' ' LEU . 9.7 mt -44.24 -33.86 1.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -78.68 -40.77 32.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.496 ' CG ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -49.41 -23.56 1.56 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 110.249 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.699 ' CB ' HD21 ' A' ' 105' ' ' LEU . . . -78.19 -54.8 5.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.81 HD21 ' HB3' ' A' ' 42' ' ' SER . 14.9 tp -44.49 -58.06 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -48.98 -49.6 39.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -35.31 75.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' THR . 51.5 m -75.25 -27.67 59.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.286 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -67.66 -10.23 50.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.593 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 32' ' ' HIS . . . -127.16 29.92 4.22 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 31' ' ' GLY . 63.6 m-70 -162.22 -44.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 109.572 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 1.016 HG22 HG11 ' A' ' 37' ' ' VAL . 25.3 m -86.74 148.47 25.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.352 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HB2' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -51.62 -178.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -83.08 -65.35 1.02 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' LYS . 6.5 mp0 -37.85 -52.63 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.016 HG11 HG22 ' A' ' 33' ' ' THR . 2.4 p -47.08 -62.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.757 ' SG ' HD11 ' A' ' 26' ' ' LEU . 48.7 t -43.58 -63.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 38' ' ' CYS . 8.0 t70 -39.97 -35.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 37' ' ' VAL . 7.6 t70 -73.35 -65.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.8 mt -47.77 -60.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.81 ' HB3' HD21 ' A' ' 26' ' ' LEU . 53.9 p -46.88 -55.51 7.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.15 -37.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HD2' ' CG2' ' A' ' 100' ' ' VAL . 22.6 mmt-85 -72.25 -48.73 40.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.54 HD12 HD22 ' A' ' 26' ' ' LEU . 13.5 mt -50.98 -53.32 34.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.28 -40.42 2.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.606 HD11 ' OE1' ' A' ' 97' ' ' GLN . 3.8 tt -73.68 -50.93 18.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.612 ' CD2' HD13 ' A' ' 22' ' ' LEU . 13.7 tp -42.1 -53.35 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -61.47 -50.81 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -53.04 -47.74 68.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.458 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 1.2 mt-30 -65.83 -37.72 86.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.855 ' CH2' HG21 ' A' ' 18' ' ' VAL . 2.3 t-105 -65.48 -62.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLY . . . -59.12 -58.81 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -36.49 -35.76 0.13 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.45 29.08 9.73 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.46 -15.81 23.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.8 mt -83.18 151.3 25.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.648 ' OG ' HG23 ' A' ' 61' ' ' VAL . 10.9 p -87.23 156.92 19.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 5.0 mt -60.46 -45.15 97.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.01 -3.21 13.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.648 HG23 ' OG ' ' A' ' 58' ' ' SER . 2.0 t -91.36 -22.98 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.607 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 7.8 mttt -91.6 -41.97 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' NZ ' ' HB ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -62.68 -34.63 77.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.5 ' O ' HG21 ' A' ' 83' ' ' ILE . 2.7 mtt85 -75.11 -42.66 56.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.573 ' CE ' HD11 ' A' ' 22' ' ' LEU . 22.0 mmm -55.51 -60.38 3.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.458 ' HB2' HG21 ' A' ' 13' ' ' THR . . . -38.71 -36.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.529 ' HB2' HG21 ' A' ' 83' ' ' ILE . 7.4 mt -57.8 -62.5 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -51.52 -40.02 58.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.629 HG21 HG13 ' A' ' 18' ' ' VAL . 38.2 t -61.02 -63.58 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.516 ' HA ' HD12 ' A' ' 73' ' ' LEU . 80.0 mm-40 -40.17 -42.44 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -65.77 -54.74 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.467 HD21 ' HE2' ' A' ' 109' ' ' LYS . 2.0 tt -50.93 -31.27 17.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.937 HD21 ' HB3' ' A' ' 21' ' ' PRO . 91.1 mt -66.78 -43.79 83.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' A' ' 75' ' ' HIS . 6.3 m170 -82.37 -1.81 51.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.61 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.484 ' CB ' ' O ' ' A' ' 74' ' ' HIS . 2.6 m170 85.94 -1.07 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.624 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -66.13 71.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.443 ' CD1' ' HG3' ' A' ' 110' ' ' LYS . 1.5 m95 -63.56 -48.78 76.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 107.972 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -45.26 -43.24 10.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.97 -50.54 33.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.606 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -44.56 -49.97 9.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.2 -42.16 99.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.5 -57.31 8.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.529 HG21 ' HB2' ' A' ' 67' ' ' LEU . 4.4 mt -63.98 -48.44 86.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.43 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -48.15 -39.18 19.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.562 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.544 ' O ' HG23 ' A' ' 89' ' ' VAL . 34.0 mmt180 -66.61 -55.13 16.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.8 m -47.22 -34.32 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 91' ' ' HIS . 6.1 mt -74.42 -42.88 58.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.401 ' HG3' ' CD2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -66.3 -8.5 25.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 85' ' ' ARG . 56.6 t -80.18 -62.86 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.6 -70.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.452 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 15.3 m-70 -77.26 61.22 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 93' ' ' THR . 5.9 p -84.3 -51.76 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.51 ' N ' HG13 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -65.53 -35.65 81.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -59.89 -46.63 88.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.602 ' HA ' ' CZ2' ' A' ' 98' ' ' TRP . 19.3 m -79.24 -25.19 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 97' ' ' GLN . 10.8 p -54.53 174.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.024 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.606 ' OE1' HD11 ' A' ' 47' ' ' LEU . 0.1 OUTLIER 73.04 1.2 3.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.602 ' CZ2' ' HA ' ' A' ' 95' ' ' VAL . 68.8 p-90 -165.69 -43.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 107.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.407 ' O ' ' SD ' ' A' ' 99' ' ' MET . 25.1 tpp -37.4 -33.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 44' ' ' ARG . 27.1 m -53.29 -47.49 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 98' ' ' TRP . . . -57.64 -62.71 6.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.592 HG21 ' HZ3' ' A' ' 98' ' ' TRP . 74.2 t -40.79 -48.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -48.93 -49.79 38.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 101' ' ' GLY . 18.8 tpp180 -66.92 -47.29 72.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.699 HD21 ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -45.96 -50.88 14.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.1 mt -49.26 -63.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -43.12 -63.26 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -47.1 -59.84 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.671 ' HA ' HD12 ' A' ' 112' ' ' LEU . 26.9 mmmt -45.03 -58.81 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.443 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 3.2 tttt -50.65 -49.03 58.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -51.4 64.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 109' ' ' LYS . 47.0 mt -43.58 -63.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.6 -44.12 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.034 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 61.38 78.18 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 114.07 3.94 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.449 1.763 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.47 97.01 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.41 125.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -180.0 . . . . . . . . 0 0 . 1 stop_ save_