data_2g31_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 2g31 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.7 mp -85.34 -25.16 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -41.34 23.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -53.56 55.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.12 -24.62 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' ASP . 16.3 mt-30 -75.14 -55.88 5.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' GLU . 12.2 mtpp -44.82 -61.63 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.1 m -51.69 -24.65 5.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.051 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -85.66 -27.08 25.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.424 1.077 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LYS . 3.0 tt0 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -43.6 -26.06 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.47 -56.49 4.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.35 -27.66 64.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 t -54.18 -55.73 25.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.596 1.185 . . . . 0.0 110.056 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -59.46 -23.24 62.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.3 t -81.4 -39.69 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.39 -25.18 50.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -71.83 -30.51 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.46 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 2.8 m -74.09 -31.76 62.95 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.45 1.094 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -52.06 -25.57 8.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -74.6 -39.03 62.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.12 -42.69 63.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.92 -22.0 25.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -86.14 -27.11 24.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.235 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.7 OUTLIER -73.27 -24.98 60.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.619 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -55.68 -33.18 63.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.619 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -65.11 -43.11 93.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 110.023 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.46 -25.58 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -80.14 -30.01 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.034 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -51.16 -21.64 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -40.44 -33.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . -148.98 61.59 0.43 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER 37.08 38.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.539 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.421 ' HB ' ' CB ' ' A' ' 40' ' ' SER . 11.9 t -86.47 -25.09 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.443 ' ND2' ' OD1' ' A' ' 59' ' ' ASP . 1.5 p30 -56.43 -41.09 75.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.38 1.05 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.5 p -70.62 -20.59 62.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 108.262 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.8 m -83.53 -37.63 22.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.448 HD11 ' CG ' ' A' ' 50' ' ' LYS . 2.2 pp -83.29 -45.99 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.465 ' CD ' ' HB3' ' A' ' 57' ' ' LEU . 31.6 mttt -54.85 -44.74 74.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.402 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 1.9 tm-20 -63.24 -17.4 62.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.81 -39.62 10.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.46 ' CG ' ' HB3' ' A' ' 30' ' ' SER . 0.2 OUTLIER -82.99 -67.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.242 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -73.74 -52.24 13.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER 87.43 12.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -153.13 -43.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.465 ' HB3' ' CD ' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -40.91 -47.25 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.456 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 97.0 t 39.76 73.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 58' ' ' VAL . 12.4 t0 78.94 -55.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.224 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.46 ' HA ' ' CD2' ' A' ' 57' ' ' LEU . 6.2 t0 . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.2 mm -73.96 -25.35 20.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.33 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -65.14 -50.07 67.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.03 93.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -56.73 -63.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' GLU . 13.7 pt20 -57.91 -40.22 79.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -52.02 -50.57 61.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -77.6 -22.29 51.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.041 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -75.04 -31.12 61.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.8 pt-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 23' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -42.63 -26.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' A' ' 21' ' ' ALA . 1.2 mt -80.45 -56.52 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -59.07 -27.67 65.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.9 t -60.99 -56.23 23.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -55.41 -21.77 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.6 t -81.24 -52.45 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.369 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.466 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -66.07 -42.84 88.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -29.5 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.449 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 12.5 m -68.38 -29.7 68.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 0.0 110.029 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -57.11 -25.61 59.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -79.45 -22.98 43.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.453 ' CD1' ' HB ' ' A' ' 49' ' ' ILE . 2.4 mm? -72.0 -48.08 47.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.432 ' CG2' ' NZ ' ' A' ' 50' ' ' LYS . 5.8 p -64.01 -26.13 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -86.13 -19.94 29.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -77.71 -25.57 49.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.619 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -56.55 -33.16 65.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.619 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -64.7 -41.22 96.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -82.74 -27.1 31.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.422 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 1.0 OUTLIER -80.1 -27.46 39.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.991 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -50.66 -22.35 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.75 55.39 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 162.32 -81.51 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.529 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER 160.25 47.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 109.585 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.1 t -111.16 -27.13 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.498 ' HA ' ' CG1' ' A' ' 49' ' ' ILE . 10.0 p-10 -56.68 -18.67 13.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.477 ' HA ' ' N ' ' A' ' 59' ' ' ASP . 13.1 p -88.6 -26.18 22.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 108.272 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.0 m -84.65 -56.01 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.443 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.498 ' CG1' ' HA ' ' A' ' 46' ' ' ASN . 1.1 pp -46.8 -65.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.432 ' NZ ' ' CG2' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -48.31 -50.68 29.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -38.37 -32.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.237 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -94.92 -64.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.449 ' CG ' ' HB3' ' A' ' 30' ' ' SER . 0.0 OUTLIER -40.08 -68.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -94.42 -55.12 3.28 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CG ' ' O ' ' A' ' 51' ' ' GLU . 0.6 OUTLIER 83.31 25.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -142.93 -44.52 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.472 ' CD2' ' HA ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -67.11 -44.88 78.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 p 40.62 89.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.358 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.477 ' N ' ' HA ' ' A' ' 47' ' ' CYS . 2.8 t0 53.55 99.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.563 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 30.5 t0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.4 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -86.14 -25.13 6.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -51.96 40.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -53.84 53.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.3 mm -57.63 -23.31 19.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -75.1 -35.21 61.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -38.41 72.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.189 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.4 t -71.02 -25.76 62.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.952 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -85.68 -24.76 26.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.391 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.243 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -79.28 -25.19 42.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -80.63 -55.67 4.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.253 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.7 -27.6 68.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -59.97 -56.26 23.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.3 -21.41 34.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.1 t -81.36 -45.64 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.228 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.9 -27.18 61.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -73.85 -31.02 29.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.419 ' HB3' ' NH1' ' A' ' 53' ' ' ARG . 43.6 m -78.17 -36.82 47.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 110.052 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -52.21 -25.53 9.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 110.243 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.444 ' CA ' ' OE1' ' A' ' 32' ' ' GLU . 2.1 tp10 -83.19 -24.11 32.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 2.2 mm? -68.14 -48.4 65.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 35' ' ' GLN . 1.5 p -60.57 -30.15 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.405 ' N ' HG12 ' A' ' 34' ' ' VAL . 2.5 mt-30 -79.4 -26.39 41.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -25.97 61.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.611 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -58.61 -25.82 63.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.611 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 12.7 t -68.83 -45.09 72.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.518 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 1.2 m-20 -83.41 -28.81 28.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.444 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 1.2 m -80.13 -27.01 39.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 110.031 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 37' ' ' TYR . . . -54.2 -19.85 5.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.544 ' CD1' ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -85.1 46.76 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.482 ' O ' ' CG2' ' A' ' 45' ' ' VAL . . . 158.82 40.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.566 1.166 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' GLY . 28.9 m170 35.57 35.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 109.609 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 43' ' ' GLY . 57.3 t -92.81 -27.75 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.376 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.504 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 4.8 p-10 -58.02 -29.79 65.6 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 11.4 p -80.07 -25.23 40.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 108.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.0 m -83.56 -26.95 29.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.443 ' CD1' ' O ' ' A' ' 33' ' ' LEU . 1.9 pp -91.72 -36.67 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -74.88 -46.5 35.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.482 ' O ' ' CD1' ' A' ' 55' ' ' LEU . 11.8 tt0 -39.06 -31.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -94.98 -64.39 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.531 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -39.85 -69.27 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.531 ' N ' ' CD ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -94.88 -55.4 3.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.51 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER 88.34 23.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.71 -44.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.039 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.425 HD12 ' CB ' ' A' ' 60' ' ' ASP . 1.1 tm? -47.01 -43.62 19.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 60' ' ' ASP . 43.9 t 39.01 63.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER 68.26 -59.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 58' ' ' VAL . 9.4 t70 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.3 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 mp -48.27 -25.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.21 -47.81 6.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.87 -46.19 88.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 pt -67.06 -23.91 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -67.08 -46.6 73.8 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.446 1.091 . . . . 0.0 110.201 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -66.21 -38.42 87.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.5 t -68.7 -25.77 64.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.051 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -85.78 -27.31 25.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.245 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -43.59 -26.17 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 110.943 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.86 -56.6 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -27.62 66.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 t -63.15 -55.69 23.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.072 . . . . 0.0 110.049 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.53 -21.82 18.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.5 t -80.9 -45.3 21.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.165 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.5 -23.73 58.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.41 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -71.65 -30.45 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.409 ' O ' ' NH1' ' A' ' 53' ' ' ARG . 13.8 m -64.02 -32.9 74.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -56.0 -25.37 43.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -82.62 -23.13 34.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' CB ' ' HG3' ' A' ' 53' ' ' ARG . 1.2 mm? -67.3 -40.55 86.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.496 ' HA ' ' CE ' ' A' ' 50' ' ' LYS . 3.1 p -60.71 -24.57 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -33.22 20.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -60.98 -25.14 66.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.619 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -65.99 -26.09 67.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.619 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 34.2 t -72.02 -39.95 68.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.952 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -83.92 -36.65 23.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.626 ' HG ' ' N ' ' A' ' 46' ' ' ASN . 9.7 p -75.51 -26.32 58.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.97 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 37' ' ' TYR . . . -50.22 -22.32 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.06 55.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . 166.87 -80.65 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.422 1.076 . . . . 0.0 111.042 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 1.6 m-70 160.91 45.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 t -111.32 -27.62 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.626 ' N ' ' HG ' ' A' ' 40' ' ' SER . 7.9 p-10 -56.58 -23.38 40.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.7 p -88.79 -22.92 23.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.317 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.8 m -83.38 -47.02 11.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.37 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.433 ' HB ' ' CD1' ' A' ' 33' ' ' LEU . 15.7 pt -63.38 -48.02 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -47.63 -59.99 2.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 4.8 tt0 -40.07 -27.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.456 ' N ' ' C ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -95.58 -59.51 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.434 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -55.93 -70.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.519 ' O ' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -81.8 -55.28 4.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.519 ' CD1' ' O ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER 88.59 23.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -169.19 -46.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -41.8 -38.53 1.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 41.3 t 41.81 89.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.359 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.45 ' OD1' ' ND2' ' A' ' 46' ' ' ASN . 3.3 t0 48.61 95.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.532 ' C ' ' CE2' ' A' ' 37' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 11' ' ' GLN . 1.1 pp -69.7 -25.09 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.95 -56.1 20.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -42.22 95.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.6 mt -69.96 -23.08 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.335 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 7' ' ' ILE . 23.7 tt0 -84.44 -56.91 3.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.118 . . . . 0.0 110.254 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -29.37 66.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.5 t -81.92 -20.96 37.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.036 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.68 -28.84 24.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -69.63 -33.5 72.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.22 -44.49 19.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -27.63 64.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 t -60.69 -52.37 65.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.73 -27.0 37.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.2 t -80.76 -46.8 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.393 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.66 -27.26 68.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 109.26 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -74.1 -32.53 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.422 1.076 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.453 ' HA ' ' CD1' ' A' ' 33' ' ' LEU . 59.9 p -72.48 -34.55 67.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.991 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -51.98 -25.27 7.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -77.15 -27.06 53.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.35 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 30' ' ' SER . 0.9 OUTLIER -74.17 -48.68 27.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.5 p -59.76 -22.55 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.81 -24.88 26.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -74.38 -24.13 59.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -55.25 -31.28 61.41 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.579 1.174 . . . . 0.0 111.02 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.62 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 12.9 t -67.62 -42.2 82.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -83.09 -26.72 30.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.412 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 3.9 m -80.06 -27.6 39.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.026 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' CA ' ' HB3' ' A' ' 46' ' ' ASN . . . -50.97 -20.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 41' ' ' ALA . 4.1 mt -37.64 -65.57 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.479 ' O ' ' CG2' ' A' ' 45' ' ' VAL . . . -115.63 64.61 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 43' ' ' GLY . 26.1 m-70 37.46 34.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 43' ' ' GLY . 15.1 t -90.81 -23.9 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.595 ' ND2' ' H ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -55.51 -41.74 73.51 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.595 ' H ' ' ND2' ' A' ' 46' ' ' ASN . 12.4 p -74.78 -22.25 58.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 108.23 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.2 m -83.1 -30.11 28.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 110.446 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.554 ' CD1' ' N ' ' A' ' 50' ' ' LYS . 2.0 pp -92.57 -49.11 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.624 ' HZ2' ' NE ' ' A' ' 53' ' ' ARG . 2.0 tptp -41.59 -64.52 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.416 ' O ' ' CA ' ' A' ' 55' ' ' LEU . 8.8 pt-20 -56.87 -27.46 60.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -65.15 -19.39 65.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.624 ' NE ' ' HZ2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -90.97 -69.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 6.3 tpm_? -92.27 -43.54 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 1.4 tm? 83.72 39.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -155.34 -43.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.478 ' HB3' ' CG ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -54.35 -39.95 67.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.7 t 39.45 89.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.411 ' CG ' ' OD1' ' A' ' 46' ' ' ASN . 1.6 t70 68.03 106.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.568 ' C ' ' CE2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.6 mt -72.62 -25.18 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.13 -43.29 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.49 -47.71 66.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.256 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mm -54.49 -25.65 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -77.07 -17.47 58.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -81.55 -41.06 22.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.075 . . . . 0.0 109.353 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 t -81.18 -22.89 38.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -83.8 -33.17 25.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.08 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -72.07 -28.27 63.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.85 -55.49 4.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.11 -27.72 62.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -57.17 -56.17 25.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.03 -25.04 19.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.261 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t -81.37 -48.93 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.53 -22.84 66.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -68.28 -30.71 48.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 p -65.76 -28.59 69.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.947 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -59.3 -26.13 64.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -83.18 -30.43 27.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.473 ' CD1' ' HB ' ' A' ' 49' ' ' ILE . 0.7 OUTLIER -51.29 -48.44 62.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.451 ' HA ' ' CE ' ' A' ' 50' ' ' LYS . 11.7 p -59.69 -27.74 38.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -80.63 -16.98 52.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 4.4 tttt -80.7 -23.59 39.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.629 ' C ' ' CD1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -54.14 -42.5 69.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 37' ' ' TYR . 23.4 t -56.42 -41.06 75.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.954 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.64 -56.36 3.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.078 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.453 ' CB ' ' HB ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -52.45 -33.41 44.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.01 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 37' ' ' TYR . . . -50.69 -22.38 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 pp -45.63 -26.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.479 ' O ' ' CG2' ' A' ' 45' ' ' VAL . . . -149.39 60.55 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER 36.36 34.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.598 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 43' ' ' GLY . 9.1 t -87.49 -23.59 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 5.7 p-10 -55.07 -50.37 69.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.9 p -67.76 -20.54 65.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 108.294 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 m -77.82 -29.94 50.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.473 ' HB ' ' CD1' ' A' ' 33' ' ' LEU . 27.6 pt -91.35 -43.48 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -59.84 -58.56 8.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.463 ' O ' ' CG ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -39.12 -29.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -94.83 -65.01 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.424 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -43.63 -70.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.401 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -87.42 -55.17 3.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.463 ' CG ' ' O ' ' A' ' 51' ' ' GLU . 0.5 OUTLIER 80.48 30.76 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.222 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.69 -44.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.103 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.468 HD12 ' CB ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -65.8 -47.51 74.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 69.7 t 46.54 91.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.281 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.453 ' CB ' ' ND2' ' A' ' 46' ' ' ASN . 1.1 t0 61.8 100.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.551 ' C ' ' CZ ' ' A' ' 37' ' ' TYR . 44.6 t0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.3 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.11 -25.16 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -62.45 -51.28 68.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.22 -47.2 52.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.6 mm -54.83 -23.28 11.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -90.64 -49.33 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.185 . . . . 0.0 110.311 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.21 -31.57 71.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.4 m -79.77 -23.73 42.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.969 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -77.07 -31.3 55.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.232 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -55.22 -26.48 39.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.74 -56.77 3.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -62.17 -27.58 69.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 m -69.97 -34.38 73.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.55 -24.2 67.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.5 t -80.9 -56.15 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 31' ' ' GLU . . . -51.9 -40.11 60.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.423 ' O ' ' CD1' ' A' ' 29' ' ' ILE . 0.3 OUTLIER -51.22 -25.78 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.416 ' HB3' ' NE ' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -71.08 -29.6 65.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.038 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 28' ' ' ALA . 35.5 tt0 -56.84 -25.09 55.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 35' ' ' GLN . 3.9 tt0 -79.82 -33.72 40.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.492 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -48.98 -48.03 43.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.223 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.403 ' HA ' ' CE ' ' A' ' 50' ' ' LYS . 6.3 p -65.99 -25.9 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' GLU . 25.8 mt-30 -81.09 -21.63 39.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -74.94 -25.99 59.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.605 ' CD2' ' OD1' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -59.15 -24.43 63.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -47.91 53.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.485 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 8.0 m120 -82.07 -26.17 33.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.417 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 17.9 m -79.68 -26.59 40.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 37' ' ' TYR . . . -68.47 -6.47 25.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 4.3 pp -38.2 -55.3 1.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -114.26 -52.76 0.44 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.411 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 168.34 41.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 0.721 . . . . 0.0 109.581 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.471 HG13 ' CG2' ' A' ' 49' ' ' ILE . 13.0 t -100.31 -24.83 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.605 ' OD1' ' CD2' ' A' ' 37' ' ' TYR . 1.1 p30 -55.73 -23.61 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.5 p -82.02 -29.68 31.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.338 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.5 m -85.5 -32.0 22.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 52' ' ' LEU . 1.2 pp -79.81 -37.89 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 46' ' ' ASN . 0.6 OUTLIER -56.53 -59.55 4.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.499 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -58.41 -23.38 57.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 49' ' ' ILE . 4.2 tp -43.01 -65.2 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.566 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -92.4 -68.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.566 ' N ' ' CD ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -46.79 -46.38 20.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 110.366 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.506 ' O ' ' CD1' ' A' ' 55' ' ' LEU . 0.3 OUTLIER 62.19 14.05 6.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -143.12 -42.8 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.96 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.52 ' CD2' ' C ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -39.35 -48.76 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.405 ' C ' ' OD1' ' A' ' 59' ' ' ASP . 76.1 t 47.87 86.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER 44.94 92.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.52 ' C ' ' CD2' ' A' ' 57' ' ' LEU . 54.7 t0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 mp -77.29 -25.1 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.372 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -67.67 -45.59 74.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.87 -48.45 63.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.1 mt -50.97 -23.37 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 15' ' ' GLU . 21.5 tt0 -87.75 -43.91 11.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -56.47 -34.86 67.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 t -80.1 -25.15 40.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.976 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -83.25 -26.32 30.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' GLN . 8.5 mt-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.239 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.09 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ALA . 14.7 tp -80.58 -56.07 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -58.77 -27.62 65.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' ILE . 30.2 t -65.13 -51.11 63.18 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.465 1.103 . . . . 0.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -52.32 -26.28 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.402 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.1 t -81.39 -46.57 20.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.147 . . . . 0.0 109.339 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.11 -22.33 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -79.8 -30.28 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 9.2 m -63.12 -28.4 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 110.041 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -61.35 -28.49 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -83.44 -25.72 30.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.63 -47.57 85.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.624 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 8.4 p -64.03 -17.7 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? -87.07 -35.51 18.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -23.63 62.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -54.64 -23.94 19.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.609 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -78.96 -49.07 13.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.96 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -72.58 -53.0 13.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.408 ' OG ' ' HA ' ' A' ' 46' ' ' ASN . 33.2 p -50.93 -38.48 50.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.957 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.423 ' HB1' ' ND2' ' A' ' 46' ' ' ASN . . . -50.4 -22.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.617 1.198 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 pp -47.73 -24.8 1.03 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' VAL . . . -150.34 54.1 0.49 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.4 OUTLIER 39.03 30.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.592 0.819 . . . . 0.0 109.653 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' GLY . 94.6 t -82.41 -26.18 8.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' LYS . 15.8 p-10 -56.92 -39.52 74.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.425 1.078 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 46.4 t -62.96 -18.62 63.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 108.233 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.2 m -85.08 -46.33 11.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.466 HD12 ' CD ' ' A' ' 50' ' ' LYS . 2.3 pp -78.5 -42.64 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' CD ' HD12 ' A' ' 49' ' ' ILE . 24.4 mmmt -61.97 -55.37 30.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.472 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.8 OUTLIER -56.13 -16.01 4.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.8 -64.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.499 ' NH2' ' NH2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -66.31 -69.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.506 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -66.1 -49.04 68.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER 65.48 11.82 7.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.402 ' O ' HG21 ' A' ' 58' ' ' VAL . 17.4 m-85 -138.38 -39.05 0.53 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 111.02 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.47 HD21 ' CA ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -63.75 -50.1 70.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 57' ' ' LEU . 9.0 m 43.43 92.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 5.6 p-10 44.91 91.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.47 ' CA ' HD21 ' A' ' 57' ' ' LEU . 18.0 t0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 mp -70.95 -25.47 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.49 -45.65 65.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.56 -45.83 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.3 mm -63.73 -24.71 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -71.81 -47.5 52.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -50.93 -38.87 52.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -81.61 -23.99 36.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.404 1.065 . . . . 0.0 110.049 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -79.18 -28.86 42.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -78.17 -25.88 47.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.057 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.68 -56.79 3.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.18 -27.7 67.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -65.71 -55.51 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -21.38 61.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.0 t -81.3 -41.02 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.33 -24.55 50.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -73.18 -30.53 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.374 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.6 m -76.75 -33.17 58.12 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -52.21 -25.84 10.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.346 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -81.83 -25.68 34.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.466 ' CD2' ' HB ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -66.4 -43.39 85.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.544 ' HA ' ' CE ' ' A' ' 50' ' ' LYS . 9.1 p -59.61 -24.13 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -86.56 -30.37 21.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -28.58 68.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.597 ' CD2' ' OD1' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -55.95 -28.41 56.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 111.012 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 40.3 t -68.61 -44.37 74.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -81.91 -27.99 33.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.429 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 4.1 m -79.83 -27.05 40.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.437 ' N ' ' HB3' ' A' ' 46' ' ' ASN . . . -51.33 -21.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 41' ' ' ALA . 1.0 OUTLIER -38.5 -87.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -68.69 -64.41 3.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.509 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.5 OUTLIER 161.09 44.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.454 0.738 . . . . 0.0 109.59 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.9 t -100.03 -24.9 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.597 ' OD1' ' CD2' ' A' ' 37' ' ' TYR . 1.3 p30 -55.48 -22.61 21.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.2 p -89.28 -25.75 21.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 108.331 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 91.1 m -84.62 -37.2 21.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.491 ' CG1' ' HA ' ' A' ' 46' ' ' ASN . 1.1 pt -76.81 -13.61 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.544 ' CE ' ' HA ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -80.46 -62.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.235 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -54.91 -17.0 3.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.23 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.8 -35.25 15.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -71.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.248 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.501 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -70.91 -48.15 55.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER 87.44 7.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.41 -43.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.482 ' HB3' ' CG ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -39.51 -44.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' LEU . 60.6 t 38.34 85.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER 61.16 92.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.58 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 mp -69.26 -25.11 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -52.05 62.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.52 -53.14 56.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mm -53.92 -23.84 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.72 -29.26 65.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -72.31 -36.91 69.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.4 m -82.94 -23.93 33.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -83.55 -25.83 30.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -59.01 -25.83 64.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.76 -55.15 5.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -62.72 -27.56 69.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.404 1.065 . . . . 0.0 110.246 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 1.2 m -54.81 -50.28 68.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.612 1.195 . . . . 0.0 109.918 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.13 -27.08 42.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.23 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.32 -48.38 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.31 -22.66 67.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -31.04 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.45 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 1.1 m -72.2 -26.94 62.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.417 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 8.3 tp10 -60.92 -26.64 67.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.304 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -83.39 -31.38 26.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.416 ' N ' HD21 ' A' ' 33' ' ' LEU . 1.3 mm? -50.97 -47.16 61.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 50' ' ' LYS . 3.5 p -62.43 -24.32 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.402 1.064 . . . . 0.0 109.375 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.11 -19.16 51.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -80.18 -25.61 39.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -55.97 -23.94 35.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 111.04 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -78.77 -39.21 36.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -82.3 -31.87 29.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.513 ' OG ' ' CG1' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -79.95 -26.21 40.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.432 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . . . -47.82 -22.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.346 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.418 ' N ' ' C ' ' A' ' 40' ' ' SER . 1.3 mt -75.14 55.32 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 109.286 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.431 ' O ' ' CG2' ' A' ' 45' ' ' VAL . . . 118.64 66.44 0.31 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.466 ' O ' ' O ' ' A' ' 40' ' ' SER . 21.7 m170 50.81 -134.18 1.62 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 0.746 . . . . 0.0 109.573 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.513 ' CG1' ' OG ' ' A' ' 40' ' ' SER . 5.2 t 70.46 -56.08 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.512 ' HA ' ' CG1' ' A' ' 49' ' ' ILE . 6.8 p30 -54.7 -20.11 7.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.577 1.173 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.462 ' HA ' ' N ' ' A' ' 59' ' ' ASP . 13.2 p -90.22 -26.78 19.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.238 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 45' ' ' VAL . 80.7 m -84.92 -44.69 12.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.512 ' CG1' ' HA ' ' A' ' 46' ' ' ASN . 2.4 pp -61.9 -50.7 79.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HE3' ' CD2' ' A' ' 57' ' ' LEU . 11.7 mttp -52.25 -54.79 26.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.478 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 31.5 tt0 -58.67 -16.67 17.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.86 -36.49 12.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' CG ' ' HB3' ' A' ' 30' ' ' SER . 0.0 OUTLIER -89.85 -68.43 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.18 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' LYS . 6.8 tpt180 -72.23 -42.23 65.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 51' ' ' GLU . 2.2 mt 73.11 10.97 5.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -144.73 -43.89 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -49.24 -47.14 46.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 57' ' ' LEU . 74.8 t 37.91 84.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.462 ' N ' ' HA ' ' A' ' 47' ' ' CYS . 7.7 t0 74.59 -56.32 0.64 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.475 ' HA ' ' CD2' ' A' ' 57' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.51 -25.09 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.9 -42.24 58.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.13 -52.03 15.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.8 mt -53.41 -23.2 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.252 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 15' ' ' GLU . 2.3 mm-40 -77.07 -44.56 30.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -48.4 70.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.7 t -63.47 -27.44 69.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.594 1.184 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -85.8 -32.89 21.54 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.4 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -39.66 -28.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.6 mm? -80.72 -56.88 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -27.65 66.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.3 t -64.74 -50.74 65.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -22.2 63.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.0 t -81.34 -47.58 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.14 84.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -29.86 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 m -78.18 -35.9 48.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -52.02 -25.31 8.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.97 -27.36 33.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.32 -48.51 79.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.438 ' HA ' ' NH2' ' A' ' 53' ' ' ARG . 11.5 p -60.08 -27.95 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.21 -30.62 34.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -23.4 64.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -54.62 -43.69 72.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.637 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -53.79 -40.45 66.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -83.35 -38.61 21.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.2 m -64.26 -33.45 75.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -50.69 -22.4 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.182 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.425 ' C ' ' CD1' ' A' ' 42' ' ' LEU . 1.2 pp -45.01 -26.71 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' VAL . . . -152.64 56.46 0.44 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' GLY . 3.8 p-80 38.14 31.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.602 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' GLY . 99.0 t -83.43 -25.09 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.44 ' ND2' ' OD1' ' A' ' 59' ' ' ASP . 5.4 p30 -56.44 -19.05 13.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.457 ' O ' ' NZ ' ' A' ' 50' ' ' LYS . 12.1 t -88.45 -26.5 22.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 108.349 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.1 m -84.99 -20.8 29.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.579 ' CD1' ' N ' ' A' ' 50' ' ' LYS . 1.9 pp -87.05 -48.57 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.579 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -63.26 -27.2 69.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.507 ' O ' ' CG ' ' A' ' 55' ' ' LEU . 31.0 tt0 -39.34 -38.7 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -94.68 -64.45 1.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.438 ' NH2' ' HA ' ' A' ' 34' ' ' VAL . 4.9 tmm_? -36.13 -72.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.365 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.428 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -95.97 -56.15 2.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.354 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 50' ' ' LYS . 1.4 tt 82.57 21.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.45 ' C ' ' N ' ' A' ' 58' ' ' VAL . 0.5 OUTLIER -150.64 -44.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.476 HD21 ' CB ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -38.23 -32.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.472 ' O ' ' CG1' ' A' ' 58' ' ' VAL . 14.6 t 39.33 71.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.44 ' OD1' ' ND2' ' A' ' 46' ' ' ASN . 11.2 t0 70.29 -58.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.476 ' CB ' HD21 ' A' ' 57' ' ' LEU . 9.5 t70 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.5 t . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.3 mm -65.01 -25.04 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -74.15 -49.9 21.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.26 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.9 65.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.0 mm -55.64 -23.33 14.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.243 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -65.21 -45.54 84.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -82.5 -55.31 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -47.5 -24.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.973 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -65.91 -38.31 88.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' LYS . 39.3 mt-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -69.64 -36.56 76.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.75 -43.06 20.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.213 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -28.26 69.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.9 p -66.42 -39.14 88.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.949 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -52.1 -22.25 3.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 31' ' ' GLU . 54.2 t -81.16 -54.98 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.72 -29.29 70.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 mp -76.76 -55.65 10.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 29.3 m -64.69 -26.63 68.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' VAL . 33.3 tt0 -61.62 -25.15 67.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -83.02 -23.61 33.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.454 HD11 ' CD1' ' A' ' 49' ' ' ILE . 3.8 mm? -64.11 -48.72 75.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.406 HG11 ' NE ' ' A' ' 53' ' ' ARG . 8.7 m -60.81 -19.45 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.415 1.072 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -79.85 -16.56 55.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.6 OUTLIER -80.33 -27.77 38.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.611 ' HA ' ' CB ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -54.74 -21.36 10.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 111.046 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.49 -50.31 10.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 110.003 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -83.15 -59.58 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 36' ' ' LYS . 41.9 t -48.51 -26.36 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.032 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 37' ' ' TYR . . . -49.0 -88.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' ALA . 15.8 mt 36.23 35.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ALA . . . 137.7 -80.95 0.28 Allowed Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.412 ' HB3' ' O ' ' A' ' 43' ' ' GLY . 0.6 OUTLIER -178.26 48.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 0.818 . . . . 0.0 109.585 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 40' ' ' SER . 1.3 t -92.66 -41.7 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.389 1.055 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.611 ' CB ' ' HA ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -58.54 -29.44 66.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.468 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 7.9 p -51.49 -25.12 5.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 108.31 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.8 m -85.03 -28.24 25.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.531 ' CD1' ' C ' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -90.88 -14.03 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 46' ' ' ASN . 0.4 OUTLIER -78.13 -58.46 3.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -56.75 -17.07 7.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.32 -36.04 16.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 30' ' ' SER . 0.0 OUTLIER -90.66 -68.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.8 tpt85 -71.4 -51.68 22.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.242 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER 87.54 6.73 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -145.78 -44.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -43.82 -48.72 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.401 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 83.9 t 39.94 76.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.234 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 58' ' ' VAL . 11.2 t0 75.07 -57.62 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.469 ' HA ' ' CD1' ' A' ' 57' ' ' LEU . 8.3 t0 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.503 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.435 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 1.1 pt -70.15 -25.04 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.91 -36.36 12.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.96 -54.9 8.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.503 ' CG1' ' O ' ' A' ' 6' ' ' VAL . 1.2 pp -64.07 -23.38 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -56.07 -50.58 70.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 110.312 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -82.47 -53.22 6.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.373 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 m -46.3 -25.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.026 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -63.54 -40.38 96.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' LYS . 29.9 mt-10 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -44.08 -25.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.62 -55.52 4.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -62.14 -27.61 69.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -60.13 -48.74 80.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.03 -24.24 52.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.7 t -81.24 -42.63 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.29 -22.32 59.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.1 -30.17 49.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -64.18 -31.14 72.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 3.4 pt-20 -56.37 -25.63 50.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.262 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -82.04 -23.04 36.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.175 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.471 ' CB ' ' HG3' ' A' ' 53' ' ' ARG . 4.0 mm? -75.51 -34.17 60.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.47 ' HA ' ' CE ' ' A' ' 50' ' ' LYS . 7.4 p -61.33 -24.05 32.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.224 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -86.94 -13.75 43.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.256 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -26.09 38.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.646 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -56.2 -34.05 65.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.951 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.646 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -66.95 -37.49 84.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.967 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -83.43 -55.96 4.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.435 ' CB ' HG23 ' A' ' 49' ' ' ILE . 9.3 m -45.65 -27.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.499 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -49.07 -93.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.499 ' C ' ' O ' ' A' ' 41' ' ' ALA . 0.2 OUTLIER 32.74 42.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . 151.21 -79.67 0.2 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 0.5 OUTLIER 177.15 51.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.564 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 48' ' ' THR . 1.0 OUTLIER -110.24 -24.22 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.515 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 8.9 p30 -54.03 -31.63 51.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.471 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 12.8 p -77.56 -23.96 49.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 108.252 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' VAL . 23.6 m -86.81 -40.18 15.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.376 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.461 HD12 ' CB ' ' A' ' 37' ' ' TYR . 1.9 pp -71.28 -40.91 74.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -50.59 -58.16 6.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -19.11 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.48 -32.32 13.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.471 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -73.81 -68.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 0.0 110.352 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.53 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 7.6 tpm_? -94.3 -45.96 7.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.53 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER 90.13 24.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -160.74 -42.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.508 ' CD2' ' C ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -45.68 -61.06 1.86 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 59' ' ' ASP . 68.5 t 64.03 105.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.456 ' CB ' ' OD1' ' A' ' 46' ' ' ASN . 26.8 t0 40.84 91.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.415 1.072 . . . . 0.0 109.277 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.508 ' C ' ' CD2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.38 1.05 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 pt -58.01 -25.12 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -61.61 -55.49 30.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.83 -50.2 65.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.3 mt -50.68 -23.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 15' ' ' GLU . 2.1 tt0 -70.21 -35.36 73.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -61.31 -37.72 84.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.91 -23.32 39.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.023 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -85.47 -24.99 27.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.8 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -78.4 -27.27 46.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.65 -55.8 4.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.73 -27.47 63.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -60.54 -55.48 32.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -53.32 -25.48 15.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.408 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 41.6 t -81.42 -48.59 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.65 -23.14 66.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.29 -30.05 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 3.8 m -64.33 -26.15 68.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.032 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.408 ' OE2' ' O ' ' A' ' 27' ' ' VAL . 5.7 mm-40 -64.91 -25.22 67.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 36' ' ' LYS . 4.6 mt-10 -84.58 -23.24 29.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.433 HD13 ' CB ' ' A' ' 53' ' ' ARG . 2.4 mm? -59.23 -49.36 78.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.559 ' CG2' ' NZ ' ' A' ' 50' ' ' LYS . 9.8 p -68.49 -28.1 39.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -82.58 -18.39 41.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 110.278 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -76.7 -25.64 53.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.598 ' CD2' ' OD1' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -55.59 -29.93 59.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.073 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.412 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -70.1 -42.17 73.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.65 -25.56 32.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.157 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 36' ' ' LYS . 28.9 m -79.91 -27.69 39.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.456 ' CA ' ' HB3' ' A' ' 46' ' ' ASN . . . -51.04 -21.77 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -39.53 -66.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 45' ' ' VAL . . . -112.37 63.45 0.28 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER 37.59 31.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.616 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' GLY . 7.5 t -85.83 -25.71 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.598 ' OD1' ' CD2' ' A' ' 37' ' ' TYR . 1.0 OUTLIER -56.73 -18.22 11.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.3 p -88.26 -27.64 21.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 108.318 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 55.3 m -84.65 -42.51 15.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.396 1.06 . . . . 0.0 110.416 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.405 HD11 ' N ' ' A' ' 50' ' ' LYS . 1.6 pp -62.25 -39.96 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.559 ' NZ ' ' CG2' ' A' ' 34' ' ' VAL . 2.5 tptp -60.23 -62.9 1.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -17.47 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -64.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.093 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.593 ' CZ ' ' CZ ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -85.02 -67.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.257 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.593 ' CZ ' ' CZ ' ' A' ' 53' ' ' ARG . 26.2 mmt180 -50.29 -51.54 44.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 62.66 13.41 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.415 ' O ' HG13 ' A' ' 58' ' ' VAL . 28.4 m-85 -145.04 -37.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.492 ' CD2' ' HA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -63.02 -46.45 87.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 57' ' ' LEU . 3.5 p 43.98 95.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' A' ' 58' ' ' VAL . 0.6 OUTLIER 43.12 93.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.492 ' HA ' ' CD2' ' A' ' 57' ' ' LEU . 7.7 t0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.1 t . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.9 pt -62.9 -25.1 37.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -54.81 19.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.23 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -45.63 92.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.1 mt -54.13 -35.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' GLU . 2.1 mt-30 -60.09 -35.05 74.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.448 1.093 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -43.36 99.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -21.18 46.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.54 -25.37 26.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -49.6 -28.74 6.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.96 -56.59 4.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.61 1.193 . . . . 0.0 109.242 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -59.29 -27.58 65.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 29' ' ' ILE . 15.9 m -68.73 -56.15 9.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.599 1.187 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.2 -22.44 65.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.403 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 52.2 t -79.28 -45.97 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.45 -19.9 55.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 25' ' ' SER . 6.6 mm -78.78 -23.97 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.0 p -68.83 -27.58 65.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.94 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.475 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 12.5 mm-40 -60.65 -32.55 71.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -82.54 -23.43 34.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.461 ' CB ' ' HG3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -57.19 -45.76 83.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' A' ' 31' ' ' GLU . 4.3 p -60.68 -27.31 40.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.33 -19.19 30.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.36 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -23.87 50.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.658 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -54.77 -42.68 72.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.658 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -55.52 -42.02 73.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.075 179.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.84 -56.04 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.402 ' O ' ' HB ' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -45.31 -28.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.509 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -49.27 -94.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.509 ' C ' ' O ' ' A' ' 41' ' ' ALA . 1.8 mt 31.39 61.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.61 -87.2 0.4 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.432 1.083 . . . . 0.0 111.052 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.573 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 1.2 t-80 -169.28 96.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.78 . . . . 0.0 109.644 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.497 ' CG2' ' C ' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -155.93 -39.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.488 ' HB3' ' O ' ' A' ' 37' ' ' TYR . 7.4 p30 -53.82 -20.03 5.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.573 ' SG ' ' CD2' ' A' ' 44' ' ' HIS . 10.7 p -80.58 -34.69 35.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 52.8 m -85.16 -31.51 23.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.51 ' CD1' ' C ' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -66.31 -40.65 87.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HE3' ' CG ' ' A' ' 37' ' ' TYR . 3.7 mttm -70.47 -37.32 74.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 1.3 tt0 -58.62 -20.33 46.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.371 1.044 . . . . 0.0 110.27 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.81 -55.68 2.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.168 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.461 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -59.12 -69.58 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -81.76 -55.18 4.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.574 1.171 . . . . 0.0 110.363 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER 88.25 22.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -155.72 -42.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.486 ' O ' ' C ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -46.07 -29.22 1.42 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.486 ' C ' ' O ' ' A' ' 57' ' ' LEU . 13.1 p 33.69 67.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.468 ' CB ' ' OD1' ' A' ' 46' ' ' ASN . 0.0 OUTLIER 63.6 107.96 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.552 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 12.4 t70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.504 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 14.9 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.411 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 2.0 pt -51.98 -26.09 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -97.29 -44.99 6.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.68 -34.46 74.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.504 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 4.0 pt -79.09 -23.33 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 14' ' ' ASP . 4.0 mm100 -68.6 -49.37 59.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -47.06 -49.36 21.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.605 1.19 . . . . 0.0 109.356 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.84 -28.77 62.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.051 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.9 m-20 -85.75 -26.66 25.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.264 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -37.76 -33.54 0.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.509 1.13 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.92 -56.76 3.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.12 -27.41 45.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -76.41 -55.88 5.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.32 -24.36 66.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.92 -57.7 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 109.243 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.71 -24.48 57.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.7 mm -82.59 -24.12 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.9 p -73.1 -33.86 65.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.022 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.498 ' OE2' ' CG2' ' A' ' 34' ' ' VAL . 8.4 tp10 -51.9 -25.14 7.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -76.44 -30.91 57.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -65.28 -49.24 70.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.596 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 16.2 m -63.91 -23.37 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -87.21 -37.1 17.57 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -67.52 -24.62 65.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -55.46 -24.82 33.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.988 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.62 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 44.1 t -79.48 -38.53 34.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.943 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.57 -57.72 3.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.473 ' CB ' HG12 ' A' ' 45' ' ' VAL . 9.9 p -54.31 -27.53 36.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.151 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 37' ' ' TYR . . . -47.92 -91.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 73.37 -56.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.463 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -171.91 65.78 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.525 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 1.4 t60 84.56 91.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 109.595 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 44' ' ' HIS . 29.5 t -160.73 -42.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.252 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.44 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 0.7 OUTLIER -54.08 -33.68 58.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.351 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.423 ' HA ' ' N ' ' A' ' 59' ' ' ASP . 7.8 p -63.66 -24.69 67.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 108.272 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.1 m -85.37 -45.76 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.392 1.058 . . . . 0.0 110.405 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 33' ' ' LEU . 1.5 pp -71.26 -37.47 66.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.558 ' HE3' ' CD2' ' A' ' 37' ' ' TYR . 7.8 mttt -64.91 -59.07 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -55.48 -17.2 4.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -52.16 16.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.506 ' HD3' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -90.85 -69.17 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.506 ' N ' ' HD3' ' A' ' 53' ' ' ARG . 3.1 tpt180 -55.72 -52.96 62.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.418 ' CD1' ' O ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER 79.06 4.41 2.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -140.14 -43.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -40.0 -61.05 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.8 t 53.14 77.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 10.6 t0 60.27 100.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.472 ' HB3' ' CD1' ' A' ' 57' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 pt -74.48 -25.14 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.25 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -32.93 74.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.05 -46.39 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.8 mt -51.84 -44.47 37.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.23 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -63.56 -26.32 68.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' GLU . 12.8 mttt -82.38 -64.28 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.9 m -46.11 -25.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.968 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -63.2 -40.71 98.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 12' ' ' LYS . 3.5 mt-10 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.191 . . . . 0.0 110.258 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -73.46 -29.69 62.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.61 -54.48 5.62 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -27.52 62.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.343 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -62.26 -50.87 70.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -56.23 -23.74 37.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.078 . . . . 0.0 110.277 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.9 t -81.25 -40.9 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.73 -24.04 59.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.406 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -76.57 -30.53 19.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m -66.0 -34.91 79.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.002 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -53.11 -25.45 13.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -80.36 -25.6 39.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.468 ' CD1' HD11 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -63.17 -48.08 79.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.3 p -60.32 -21.24 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -80.04 -39.72 29.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.361 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -61.73 -23.78 66.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.618 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -55.17 -36.35 65.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.618 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 36.3 t -61.28 -43.6 98.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -83.3 -23.93 32.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.366 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' LYS . 10.8 m -80.0 -30.3 39.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -51.46 -20.48 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' ALA . 0.7 OUTLIER -37.65 -58.19 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . -129.81 66.78 0.57 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.107 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 44' ' ' HIS . 5.8 t-160 34.46 58.08 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.573 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.7 t -111.11 -24.24 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.343 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.512 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 1.5 p30 -55.45 -23.47 25.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.458 ' HB3' ' CD2' ' A' ' 44' ' ' HIS . 10.7 t -87.86 -27.73 22.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 108.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.523 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 17.2 m -84.68 -18.92 33.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 33' ' ' LEU . 2.0 pp -94.04 -45.33 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.632 ' HZ3' ' N ' ' A' ' 56' ' ' PHE . 0.7 OUTLIER -66.66 -30.79 71.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -44.56 -28.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.457 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -95.56 -29.74 14.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -73.96 -72.15 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.609 1.193 . . . . 0.0 110.331 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.55 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -96.04 -55.83 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.55 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER 91.33 25.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.632 ' N ' ' HZ3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -153.42 -37.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -38.82 -29.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 0.0 109.335 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.475 ' N ' ' C ' ' A' ' 56' ' ' PHE . 15.0 p 36.16 63.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 58' ' ' VAL . 5.8 t70 80.09 -54.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.473 ' HA ' ' CD1' ' A' ' 57' ' ' LEU . 15.1 t70 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.41 HG12 ' CD1' ' A' ' 7' ' ' ILE . 7.6 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.41 ' CD1' HG12 ' A' ' 6' ' ' VAL . 2.7 mp -85.12 -25.19 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.73 -56.29 16.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.88 79.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.261 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.4 mt -55.47 -24.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.274 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -77.31 -28.41 53.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -31.04 49.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 p -81.37 -24.23 37.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.031 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.27 -26.04 33.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.212 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -39.92 -28.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.172 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -79.9 -50.2 10.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.619 1.199 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' ALA . 6.6 tt0 -67.87 -27.51 66.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.262 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 t -62.74 -56.14 20.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.046 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -52.95 -22.53 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.4 t -81.35 -53.34 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.07 -32.83 74.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.444 ' CD1' ' OE1' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -68.68 -30.96 48.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.379 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 65.9 m -68.31 -34.71 76.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.03 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -52.77 -24.2 8.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.234 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.444 ' OE1' ' CD1' ' A' ' 29' ' ' ILE . 2.2 pt-20 -81.09 -24.09 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -69.52 -49.17 57.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.473 ' HA ' ' CD ' ' A' ' 50' ' ' LYS . 9.9 p -62.57 -18.62 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.67 -19.04 36.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -80.27 -25.29 39.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -55.58 -23.4 26.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 111.039 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.14 -42.22 26.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.604 1.19 . . . . 0.0 110.029 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -83.34 -56.65 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 36' ' ' LYS . 5.1 t -45.66 -27.0 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.03 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.468 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -48.1 -92.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' A' ' 41' ' ' ALA . 3.5 pp 34.17 39.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 109.319 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ALA . . . 142.97 -82.46 0.22 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 43' ' ' GLY . 0.5 OUTLIER -178.91 56.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.578 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.429 ' HB ' ' O ' ' A' ' 40' ' ' SER . 0.9 OUTLIER -111.09 -26.44 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.117 . . . . 0.0 109.217 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.503 ' CB ' ' HA ' ' A' ' 37' ' ' TYR . 7.5 p-10 -56.02 -33.02 64.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 6.8 p -70.95 -20.53 62.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.3 m -82.84 -31.83 27.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 110.369 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.564 ' CD1' ' N ' ' A' ' 50' ' ' LYS . 1.9 pp -92.42 -49.03 13.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.564 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -56.43 -44.88 80.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 32.8 tt0 -67.01 -15.4 63.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 110.364 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.83 -29.74 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HD3' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -91.28 -68.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.476 ' N ' ' HD3' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -67.1 -50.13 62.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.426 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER 83.35 0.83 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -135.57 -41.81 0.7 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.484 ' CD1' ' HA ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -45.7 -37.08 5.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' LEU . 95.6 t 38.91 72.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.525 ' CG ' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER 74.62 -54.97 0.66 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.525 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 58.9 t0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 7' ' ' ILE . 9.3 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.4 ' N ' HG12 ' A' ' 6' ' ' VAL . 8.5 mt -66.94 -25.1 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -52.49 28.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.27 79.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.239 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.4 mt -51.51 -23.29 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -82.43 -41.62 19.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.267 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -38.2 87.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.1 m -78.91 -22.74 45.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.17 . . . . 0.0 110.053 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -83.2 -28.68 29.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -46.1 -30.77 2.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.4 tp -80.85 -52.39 7.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -27.53 62.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -59.29 -55.7 31.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.26 -23.38 47.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.4 t -81.25 -43.97 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.69 -29.05 63.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -31.05 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.8 p -77.59 -37.99 49.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -52.82 -25.82 12.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -83.46 -24.98 31.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.415 ' CD1' ' HB ' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -67.44 -48.53 66.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.341 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.416 ' HB ' ' NH2' ' A' ' 53' ' ' ARG . 9.8 p -61.77 -19.31 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.36 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -81.5 -24.33 36.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.1 OUTLIER -80.36 -24.94 39.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -55.36 -24.9 31.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.151 . . . . 0.0 111.057 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 t -81.47 -45.0 16.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.953 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.57 -57.48 3.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' LYS . 11.3 p -54.81 -27.75 44.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.066 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 37' ' ' TYR . . . -51.3 -24.11 4.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -78.02 55.64 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 168.48 -81.55 0.1 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.099 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.511 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.3 OUTLIER 162.13 43.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 0.793 . . . . 0.0 109.584 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 t -113.6 -27.15 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.525 ' HA ' ' CG1' ' A' ' 49' ' ' ILE . 14.7 p-10 -55.71 -21.93 21.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.442 ' HB3' ' CB ' ' A' ' 59' ' ' ASP . 1.3 p -89.85 -26.28 20.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 108.301 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.88 -23.54 33.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.525 ' CG1' ' HA ' ' A' ' 46' ' ' ASN . 1.2 pt -92.27 -37.08 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.582 1.176 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 3.1 mmmt -75.2 -61.74 1.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.205 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 1.8 tt0 -45.08 -23.73 0.18 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.589 1.181 . . . . 0.0 110.319 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.6 tp -95.83 -57.86 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.552 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -59.95 -70.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.552 ' N ' ' CD ' ' A' ' 53' ' ' ARG . 18.4 ttt180 -79.26 -55.28 5.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.537 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER 90.97 15.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -134.46 -41.92 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -82.61 53.86 2.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 52.3 t -64.75 73.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER 80.69 -52.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.474 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 4.7 t0 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.1 -25.16 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.421 ' O ' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -67.87 -46.16 72.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.24 83.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.0 mm -59.75 -23.12 25.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -83.52 -34.44 25.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.346 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -82.18 -59.74 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.8 t -45.97 -25.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.027 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' A' ' 12' ' ' LYS . 26.3 t0 -63.25 -40.68 98.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LYS . 34.4 mt-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.418 1.074 . . . . 0.0 110.301 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -41.57 -28.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -56.68 3.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -27.72 57.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 t -60.72 -56.25 23.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.36 -21.52 25.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.412 1.07 . . . . 0.0 110.268 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.1 t -81.38 -47.57 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.87 -30.87 67.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -67.66 -31.3 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.441 ' OG ' ' NH1' ' A' ' 53' ' ' ARG . 20.4 p -76.71 -36.93 56.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -52.75 -25.69 11.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -31.17 28.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.68 -47.9 75.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.6 p -60.73 -22.15 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -86.74 -22.97 25.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -73.56 -24.38 60.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.663 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -55.31 -43.81 75.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.663 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -52.15 -42.64 63.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.963 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -83.81 -56.45 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.4 ' O ' ' HB ' ' A' ' 45' ' ' VAL . 1.3 m -46.21 -26.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -48.3 -93.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 41' ' ' ALA . 27.3 mt 33.07 45.31 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.81 -81.84 0.21 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.34 38.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.572 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' THR . 2.5 t -97.95 -24.92 4.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.495 ' HB3' ' O ' ' A' ' 37' ' ' TYR . 13.1 p30 -54.21 -22.03 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.411 ' HB3' ' CG ' ' A' ' 59' ' ' ASP . 2.8 p -88.35 -27.08 21.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 108.293 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 45' ' ' VAL . 22.1 m -85.14 -19.39 31.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.455 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.57 ' CD1' ' N ' ' A' ' 50' ' ' LYS . 1.7 pp -89.56 -48.29 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.57 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -63.91 -12.47 37.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.441 ' N ' ' HE3' ' A' ' 50' ' ' LYS . 9.3 tt0 -73.49 -22.45 60.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.17 -23.69 20.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.551 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -83.07 -67.73 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.551 ' N ' ' CD ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -93.28 -54.73 3.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.47 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER 85.53 30.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.476 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 28.7 t80 -167.72 -39.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.499 ' CD2' ' C ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -38.85 -30.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.495 ' N ' ' HD3' ' A' ' 50' ' ' LYS . 69.2 t 53.84 83.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.428 ' OD1' ' C ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER 69.62 -60.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.345 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.499 ' C ' ' CD2' ' A' ' 57' ' ' LEU . 16.9 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.1 ttm-85 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.0 mt 42.73 64.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.382 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -91.53 -24.46 19.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.77 58.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.083 . . . . 0.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.19 32.73 6.37 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.5 1.125 . . . . 0.0 111.064 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.13 -40.89 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 109.362 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.7 mp -85.34 -25.16 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -41.34 23.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -53.56 55.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.12 -24.62 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' ASP . 16.3 mt-30 -75.14 -55.88 5.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' GLU . 12.2 mtpp -44.82 -61.63 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.1 m -51.69 -24.65 5.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.051 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -85.66 -27.08 25.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.424 1.077 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LYS . 3.0 tt0 -89.79 -62.23 1.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . -37.61 -66.74 0.53 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.91 158.01 6.42 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.777 . . . . 0.0 109.6 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -35.43 3.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.515 1.798 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -52.29 -20.34 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 mmt85 -61.34 -30.43 70.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.65 -70.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -43.6 -26.06 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.47 -56.49 4.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.35 -27.66 64.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 t -54.18 -55.73 25.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.596 1.185 . . . . 0.0 110.056 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -59.46 -23.24 62.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.3 t -81.4 -39.69 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.39 -25.18 50.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -71.83 -30.51 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.46 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 2.8 m -74.09 -31.76 62.95 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.45 1.094 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -52.06 -25.57 8.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -74.6 -39.03 62.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.12 -42.69 63.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.92 -22.0 25.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -86.14 -27.11 24.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.235 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.7 OUTLIER -73.27 -24.98 60.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.619 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -55.68 -33.18 63.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.619 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -65.11 -43.11 93.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 110.023 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.46 -25.58 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -80.14 -30.01 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.034 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -51.16 -21.64 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -40.44 -33.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . -148.98 61.59 0.43 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER 37.08 38.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.539 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.421 ' HB ' ' CB ' ' A' ' 40' ' ' SER . 11.9 t -86.47 -25.09 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.443 ' ND2' ' OD1' ' A' ' 59' ' ' ASP . 1.5 p30 -56.43 -41.09 75.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.38 1.05 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.5 p -70.62 -20.59 62.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 108.262 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.8 m -83.53 -37.63 22.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.448 HD11 ' CG ' ' A' ' 50' ' ' LYS . 2.2 pp -83.29 -45.99 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.465 ' CD ' ' HB3' ' A' ' 57' ' ' LEU . 31.6 mttt -54.85 -44.74 74.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 1.9 tm-20 -63.24 -17.4 62.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.81 -39.62 10.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.46 ' CG ' ' HB3' ' A' ' 30' ' ' SER . 0.2 OUTLIER -82.99 -67.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.242 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -73.74 -52.24 13.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER 87.43 12.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -153.13 -43.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.465 ' HB3' ' CD ' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -40.91 -47.25 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.456 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 97.0 t 39.76 73.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 58' ' ' VAL . 12.4 t0 78.94 -55.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.224 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.46 ' HA ' ' CD2' ' A' ' 57' ' ' LEU . 6.2 t0 . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.66 46.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -103.2 -24.6 13.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.27 -141.36 0.33 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 138.7 -18.69 3.19 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.3 p -100.44 -46.04 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 0.806 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.2 mm -73.96 -25.35 20.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.33 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -65.14 -50.07 67.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.03 93.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -56.73 -63.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' GLU . 13.7 pt20 -57.91 -40.22 79.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -52.02 -50.57 61.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -77.6 -22.29 51.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.041 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -75.04 -31.12 61.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.509 ' OE2' ' CE1' ' A' ' 17' ' ' HIS . 1.8 pt-20 -99.71 -31.52 11.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' GLU . . . 37.39 69.35 0.31 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.509 ' CE1' ' OE2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -114.79 97.44 47.28 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.445 0.732 . . . . 0.0 109.563 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -69.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -82.34 -33.74 28.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -47.28 -39.39 14.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.261 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 23' ' ' LEU . . . -43.24 -70.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -42.63 -26.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' A' ' 21' ' ' ALA . 1.2 mt -80.45 -56.52 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -59.07 -27.67 65.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.9 t -60.99 -56.23 23.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -55.41 -21.77 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.6 t -81.24 -52.45 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.369 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.466 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -66.07 -42.84 88.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -29.5 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.449 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 12.5 m -68.38 -29.7 68.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 0.0 110.029 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -57.11 -25.61 59.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -79.45 -22.98 43.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.453 ' CD1' ' HB ' ' A' ' 49' ' ' ILE . 2.4 mm? -72.0 -48.08 47.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.432 ' CG2' ' NZ ' ' A' ' 50' ' ' LYS . 5.8 p -64.01 -26.13 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -86.13 -19.94 29.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -77.71 -25.57 49.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.619 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -56.55 -33.16 65.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.619 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -64.7 -41.22 96.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -82.74 -27.1 31.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.422 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 1.0 OUTLIER -80.1 -27.46 39.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.991 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -50.66 -22.35 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.75 55.39 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 162.32 -81.51 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.529 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER 160.25 47.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 109.585 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.1 t -111.16 -27.13 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.498 ' HA ' ' CG1' ' A' ' 49' ' ' ILE . 10.0 p-10 -56.68 -18.67 13.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.477 ' HA ' ' N ' ' A' ' 59' ' ' ASP . 13.1 p -88.6 -26.18 22.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 108.272 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.0 m -84.65 -56.01 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.443 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.498 ' CG1' ' HA ' ' A' ' 46' ' ' ASN . 1.1 pp -46.8 -65.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.432 ' NZ ' ' CG2' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -48.31 -50.68 29.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -38.37 -32.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.237 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -94.92 -64.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.449 ' CG ' ' HB3' ' A' ' 30' ' ' SER . 0.0 OUTLIER -40.08 -68.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -94.42 -55.12 3.28 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CG ' ' O ' ' A' ' 51' ' ' GLU . 0.6 OUTLIER 83.31 25.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -142.93 -44.52 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.472 ' CD2' ' HA ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -67.11 -44.88 78.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 p 40.62 89.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.358 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.477 ' N ' ' HA ' ' A' ' 47' ' ' CYS . 2.8 t0 53.55 99.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.563 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 30.5 t0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 mp 42.36 69.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.54 -27.19 14.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 0.0 111.077 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.18 -141.26 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.3 44.57 4.96 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.4 t -152.74 -53.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -86.14 -25.13 6.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -51.96 40.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -53.84 53.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.3 mm -57.63 -23.31 19.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -75.1 -35.21 61.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -71.17 -38.41 72.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.189 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.4 t -71.02 -25.76 62.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.952 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -85.68 -24.76 26.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.391 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -91.67 -37.28 13.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.243 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.22 107.38 0.23 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.561 ' CD2' ' HB3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -113.99 97.47 45.12 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.487 0.757 . . . . 0.0 109.602 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 -34.96 3.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.484 1.781 . . . . 0.0 110.945 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -72.71 -68.61 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.5 mtt85 -50.4 -24.21 2.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.35 -32.27 37.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -79.28 -25.19 42.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -80.63 -55.67 4.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.253 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.7 -27.6 68.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -59.97 -56.26 23.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.3 -21.41 34.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.1 t -81.36 -45.64 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.228 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.9 -27.18 61.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -73.85 -31.02 29.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.419 ' HB3' ' NH1' ' A' ' 53' ' ' ARG . 43.6 m -78.17 -36.82 47.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 110.052 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -52.21 -25.53 9.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 110.243 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.444 ' CA ' ' OE1' ' A' ' 32' ' ' GLU . 2.1 tp10 -83.19 -24.11 32.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 2.2 mm? -68.14 -48.4 65.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 35' ' ' GLN . 1.5 p -60.57 -30.15 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' N ' HG12 ' A' ' 34' ' ' VAL . 2.5 mt-30 -79.4 -26.39 41.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -25.97 61.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.611 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -58.61 -25.82 63.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.611 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 12.7 t -68.83 -45.09 72.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.518 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 1.2 m-20 -83.41 -28.81 28.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.444 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 1.2 m -80.13 -27.01 39.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 110.031 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 37' ' ' TYR . . . -54.2 -19.85 5.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.544 ' CD1' ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -85.1 46.76 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.482 ' O ' ' CG2' ' A' ' 45' ' ' VAL . . . 158.82 40.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.566 1.166 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' GLY . 28.9 m170 35.57 35.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 109.609 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 43' ' ' GLY . 57.3 t -92.81 -27.75 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.376 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.504 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 4.8 p-10 -58.02 -29.79 65.6 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 11.4 p -80.07 -25.23 40.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 108.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.0 m -83.56 -26.95 29.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.443 ' CD1' ' O ' ' A' ' 33' ' ' LEU . 1.9 pp -91.72 -36.67 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -74.88 -46.5 35.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.482 ' O ' ' CD1' ' A' ' 55' ' ' LEU . 11.8 tt0 -39.06 -31.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -94.98 -64.39 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.531 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -39.85 -69.27 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.531 ' N ' ' CD ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -94.88 -55.4 3.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.51 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER 88.34 23.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.71 -44.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.039 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.425 HD12 ' CB ' ' A' ' 60' ' ' ASP . 1.1 tm? -47.01 -43.62 19.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 60' ' ' ASP . 43.9 t 39.01 63.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER 68.26 -59.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 58' ' ' VAL . 9.4 t70 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mt 41.76 66.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.625 1.203 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -108.85 -24.4 11.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -100.37 62.87 1.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.84 37.3 3.33 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.3 t -123.62 -78.16 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 109.236 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 mp -48.27 -25.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.21 -47.81 6.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.87 -46.19 88.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 pt -67.06 -23.91 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -67.08 -46.6 73.8 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.446 1.091 . . . . 0.0 110.201 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -66.21 -38.42 87.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.5 t -68.7 -25.77 64.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.051 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -85.78 -27.31 25.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -87.11 -47.24 9.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.245 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.2 104.08 0.95 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -110.39 159.28 32.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.617 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -60.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.419 1.747 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -96.85 -54.28 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -41.38 -35.18 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.23 -70.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -43.59 -26.17 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 110.943 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.86 -56.6 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -27.62 66.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 t -63.15 -55.69 23.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.072 . . . . 0.0 110.049 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.53 -21.82 18.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.5 t -80.9 -45.3 21.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.165 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.5 -23.73 58.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.41 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -71.65 -30.45 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.409 ' O ' ' NH1' ' A' ' 53' ' ' ARG . 13.8 m -64.02 -32.9 74.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -56.0 -25.37 43.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -82.62 -23.13 34.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' CB ' ' HG3' ' A' ' 53' ' ' ARG . 1.2 mm? -67.3 -40.55 86.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.496 ' HA ' ' CE ' ' A' ' 50' ' ' LYS . 3.1 p -60.71 -24.57 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -33.22 20.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -60.98 -25.14 66.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.619 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -65.99 -26.09 67.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.619 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 34.2 t -72.02 -39.95 68.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.952 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -83.92 -36.65 23.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.626 ' HG ' ' N ' ' A' ' 46' ' ' ASN . 9.7 p -75.51 -26.32 58.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.97 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 37' ' ' TYR . . . -50.22 -22.32 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.06 55.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . 166.87 -80.65 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.422 1.076 . . . . 0.0 111.042 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 1.6 m-70 160.91 45.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 t -111.32 -27.62 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.626 ' N ' ' HG ' ' A' ' 40' ' ' SER . 7.9 p-10 -56.58 -23.38 40.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.7 p -88.79 -22.92 23.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.317 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.8 m -83.38 -47.02 11.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.37 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.433 ' HB ' ' CD1' ' A' ' 33' ' ' LEU . 15.7 pt -63.38 -48.02 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -47.63 -59.99 2.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 4.8 tt0 -40.07 -27.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.456 ' N ' ' C ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -95.58 -59.51 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.434 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -55.93 -70.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.519 ' O ' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -81.8 -55.28 4.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.519 ' CD1' ' O ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER 88.59 23.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -169.19 -46.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -41.8 -38.53 1.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 41.3 t 41.81 89.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.359 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' OD1' ' ND2' ' A' ' 46' ' ' ASN . 3.3 t0 48.61 95.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.532 ' C ' ' CE2' ' A' ' 37' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 mt -107.69 56.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -132.68 -43.11 0.91 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.15 -141.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 88.5 -16.56 53.04 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.531 1.145 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.7 p -122.63 -45.14 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.554 0.796 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 11' ' ' GLN . 1.1 pp -69.7 -25.09 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.95 -56.1 20.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -42.22 95.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.6 mt -69.96 -23.08 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.335 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 7' ' ' ILE . 23.7 tt0 -84.44 -56.91 3.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.118 . . . . 0.0 110.254 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -29.37 66.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.5 t -81.92 -20.96 37.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.036 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.68 -28.84 24.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -99.76 -24.72 14.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.71 87.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -111.11 161.64 24.22 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.569 0.805 . . . . 0.0 109.593 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -72.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.545 1.813 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -52.79 -19.68 2.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -42.83 87.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.3 -28.24 67.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -69.63 -33.5 72.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.22 -44.49 19.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -27.63 64.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 t -60.69 -52.37 65.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.73 -27.0 37.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.2 t -80.76 -46.8 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.393 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.66 -27.26 68.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 109.26 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -74.1 -32.53 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.422 1.076 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.453 ' HA ' ' CD1' ' A' ' 33' ' ' LEU . 59.9 p -72.48 -34.55 67.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.991 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -51.98 -25.27 7.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -77.15 -27.06 53.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.35 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 30' ' ' SER . 0.9 OUTLIER -74.17 -48.68 27.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.5 p -59.76 -22.55 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.81 -24.88 26.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -74.38 -24.13 59.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -55.25 -31.28 61.41 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.579 1.174 . . . . 0.0 111.02 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.62 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 12.9 t -67.62 -42.2 82.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -83.09 -26.72 30.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.412 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 3.9 m -80.06 -27.6 39.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.026 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' CA ' ' HB3' ' A' ' 46' ' ' ASN . . . -50.97 -20.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 41' ' ' ALA . 4.1 mt -37.64 -65.57 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.479 ' O ' ' CG2' ' A' ' 45' ' ' VAL . . . -115.63 64.61 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 43' ' ' GLY . 26.1 m-70 37.46 34.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 43' ' ' GLY . 15.1 t -90.81 -23.9 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.595 ' ND2' ' H ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -55.51 -41.74 73.51 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.595 ' H ' ' ND2' ' A' ' 46' ' ' ASN . 12.4 p -74.78 -22.25 58.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 108.23 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.2 m -83.1 -30.11 28.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 110.446 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.554 ' CD1' ' N ' ' A' ' 50' ' ' LYS . 2.0 pp -92.57 -49.11 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.624 ' HZ2' ' NE ' ' A' ' 53' ' ' ARG . 2.0 tptp -41.59 -64.52 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.416 ' O ' ' CA ' ' A' ' 55' ' ' LEU . 8.8 pt-20 -56.87 -27.46 60.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -65.15 -19.39 65.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.624 ' NE ' ' HZ2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -90.97 -69.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 6.3 tpm_? -92.27 -43.54 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 1.4 tm? 83.72 39.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -155.34 -43.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.478 ' HB3' ' CG ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -54.35 -39.95 67.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.7 t 39.45 89.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.411 ' CG ' ' OD1' ' A' ' 46' ' ' ASN . 1.6 t70 68.03 106.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.568 ' C ' ' CE2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.5 mm -123.66 51.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -97.44 -24.38 15.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.87 72.97 3.04 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -110.82 55.08 0.52 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.09 -49.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.342 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.6 mt -72.62 -25.18 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.13 -43.29 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.49 -47.71 66.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.256 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mm -54.49 -25.65 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -77.07 -17.47 58.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -81.55 -41.06 22.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.075 . . . . 0.0 109.353 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 t -81.18 -22.89 38.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -83.8 -33.17 25.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.08 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -99.45 -6.13 28.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -37.91 -44.55 1.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -152.43 97.44 2.95 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.555 0.797 . . . . 0.0 109.579 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 160.47 40.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.562 1.822 . . . . 0.0 111.047 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -105.77 -33.62 7.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.71 -30.11 13.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.233 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.13 -20.12 59.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -72.07 -28.27 63.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.85 -55.49 4.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.11 -27.72 62.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -57.17 -56.17 25.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.03 -25.04 19.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.261 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t -81.37 -48.93 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.53 -22.84 66.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -68.28 -30.71 48.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 p -65.76 -28.59 69.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.947 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -59.3 -26.13 64.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -83.18 -30.43 27.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.473 ' CD1' ' HB ' ' A' ' 49' ' ' ILE . 0.7 OUTLIER -51.29 -48.44 62.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.451 ' HA ' ' CE ' ' A' ' 50' ' ' LYS . 11.7 p -59.69 -27.74 38.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -80.63 -16.98 52.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 4.4 tttt -80.7 -23.59 39.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.629 ' C ' ' CD1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -54.14 -42.5 69.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 37' ' ' TYR . 23.4 t -56.42 -41.06 75.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.954 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.64 -56.36 3.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.078 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.453 ' CB ' ' HB ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -52.45 -33.41 44.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.01 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 37' ' ' TYR . . . -50.69 -22.38 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 pp -45.63 -26.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.479 ' O ' ' CG2' ' A' ' 45' ' ' VAL . . . -149.39 60.55 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER 36.36 34.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.598 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 43' ' ' GLY . 9.1 t -87.49 -23.59 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 5.7 p-10 -55.07 -50.37 69.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.9 p -67.76 -20.54 65.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 108.294 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 m -77.82 -29.94 50.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.473 ' HB ' ' CD1' ' A' ' 33' ' ' LEU . 27.6 pt -91.35 -43.48 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -59.84 -58.56 8.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' O ' ' CG ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -39.12 -29.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -94.83 -65.01 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.424 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -43.63 -70.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.401 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -87.42 -55.17 3.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.463 ' CG ' ' O ' ' A' ' 51' ' ' GLU . 0.5 OUTLIER 80.48 30.76 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.222 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.69 -44.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.103 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.468 HD12 ' CB ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -65.8 -47.51 74.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 69.7 t 46.54 91.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.281 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.453 ' CB ' ' ND2' ' A' ' 46' ' ' ASN . 1.1 t0 61.8 100.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.551 ' C ' ' CZ ' ' A' ' 37' ' ' TYR . 44.6 t0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.9 mm -128.96 48.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -93.69 -24.6 17.8 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -100.18 -8.2 23.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.2 -20.69 5.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.433 1.083 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.3 m -70.15 -34.32 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.425 0.721 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.11 -25.16 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -62.45 -51.28 68.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.22 -47.2 52.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.6 mm -54.83 -23.28 11.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -90.64 -49.33 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.185 . . . . 0.0 110.311 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -61.21 -31.57 71.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.4 m -79.77 -23.73 42.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.969 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -77.07 -31.3 55.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -99.71 -29.1 12.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.232 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . 37.44 77.65 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -122.06 152.87 60.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.438 0.728 . . . . 0.0 109.6 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.17 -62.58 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.461 1.769 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -54.85 -19.57 6.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.573 1.171 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -52.13 57.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.23 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.39 -39.56 76.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -55.22 -26.48 39.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.74 -56.77 3.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -62.17 -27.58 69.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 m -69.97 -34.38 73.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.55 -24.2 67.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.5 t -80.9 -56.15 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 31' ' ' GLU . . . -51.9 -40.11 60.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.423 ' O ' ' CD1' ' A' ' 29' ' ' ILE . 0.3 OUTLIER -51.22 -25.78 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.416 ' HB3' ' NE ' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -71.08 -29.6 65.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.038 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 28' ' ' ALA . 35.5 tt0 -56.84 -25.09 55.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 35' ' ' GLN . 3.9 tt0 -79.82 -33.72 40.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.492 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -48.98 -48.03 43.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.223 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.403 ' HA ' ' CE ' ' A' ' 50' ' ' LYS . 6.3 p -65.99 -25.9 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' GLU . 25.8 mt-30 -81.09 -21.63 39.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -74.94 -25.99 59.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.605 ' CD2' ' OD1' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -59.15 -24.43 63.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -47.91 53.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.485 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 8.0 m120 -82.07 -26.17 33.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.417 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 17.9 m -79.68 -26.59 40.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 37' ' ' TYR . . . -68.47 -6.47 25.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 4.3 pp -38.2 -55.3 1.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -114.26 -52.76 0.44 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.411 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 168.34 41.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 0.721 . . . . 0.0 109.581 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.471 HG13 ' CG2' ' A' ' 49' ' ' ILE . 13.0 t -100.31 -24.83 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.605 ' OD1' ' CD2' ' A' ' 37' ' ' TYR . 1.1 p30 -55.73 -23.61 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.5 p -82.02 -29.68 31.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.338 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.5 m -85.5 -32.0 22.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 52' ' ' LEU . 1.2 pp -79.81 -37.89 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 46' ' ' ASN . 0.6 OUTLIER -56.53 -59.55 4.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.499 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -58.41 -23.38 57.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 49' ' ' ILE . 4.2 tp -43.01 -65.2 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.566 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -92.4 -68.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.566 ' N ' ' CD ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -46.79 -46.38 20.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 110.366 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.506 ' O ' ' CD1' ' A' ' 55' ' ' LEU . 0.3 OUTLIER 62.19 14.05 6.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -143.12 -42.8 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.96 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.52 ' CD2' ' C ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -39.35 -48.76 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.405 ' C ' ' OD1' ' A' ' 59' ' ' ASP . 76.1 t 47.87 86.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER 44.94 92.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.52 ' C ' ' CD2' ' A' ' 57' ' ' LEU . 54.7 t0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mt 44.33 62.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -156.3 -43.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -79.43 65.07 4.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.02 -9.04 71.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.3 p -89.83 -27.95 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 mp -77.29 -25.1 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.372 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -67.67 -45.59 74.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.87 -48.45 63.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.1 mt -50.97 -23.37 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 15' ' ' GLU . 21.5 tt0 -87.75 -43.91 11.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 16' ' ' GLY . 3.3 mtpt -56.47 -34.86 67.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 t -80.1 -25.15 40.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.976 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -83.25 -26.32 30.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' GLN . 8.5 mt-10 -99.72 -24.55 14.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . 38.23 80.1 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -77.25 153.56 82.09 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.419 0.717 . . . . 0.0 109.561 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -82.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.562 1.822 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.8 -27.52 13.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.077 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -50.36 -42.35 53.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 110.252 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . -51.01 -67.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.09 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ALA . 14.7 tp -80.58 -56.07 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -58.77 -27.62 65.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' ILE . 30.2 t -65.13 -51.11 63.18 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.465 1.103 . . . . 0.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -52.32 -26.28 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.402 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.1 t -81.39 -46.57 20.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.147 . . . . 0.0 109.339 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.11 -22.33 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -79.8 -30.28 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 9.2 m -63.12 -28.4 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 110.041 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -61.35 -28.49 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -83.44 -25.72 30.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.63 -47.57 85.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.624 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 8.4 p -64.03 -17.7 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? -87.07 -35.51 18.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -23.63 62.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -54.64 -23.94 19.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.609 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -78.96 -49.07 13.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.96 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -72.58 -53.0 13.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.408 ' OG ' ' HA ' ' A' ' 46' ' ' ASN . 33.2 p -50.93 -38.48 50.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.957 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.423 ' HB1' ' ND2' ' A' ' 46' ' ' ASN . . . -50.4 -22.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.617 1.198 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 pp -47.73 -24.8 1.03 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' VAL . . . -150.34 54.1 0.49 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.4 OUTLIER 39.03 30.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.592 0.819 . . . . 0.0 109.653 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' GLY . 94.6 t -82.41 -26.18 8.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' LYS . 15.8 p-10 -56.92 -39.52 74.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.425 1.078 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 46.4 t -62.96 -18.62 63.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 108.233 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.2 m -85.08 -46.33 11.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.466 HD12 ' CD ' ' A' ' 50' ' ' LYS . 2.3 pp -78.5 -42.64 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' CD ' HD12 ' A' ' 49' ' ' ILE . 24.4 mmmt -61.97 -55.37 30.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.472 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.8 OUTLIER -56.13 -16.01 4.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.8 -64.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.499 ' NH2' ' NH2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -66.31 -69.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.506 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -66.1 -49.04 68.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER 65.48 11.82 7.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.402 ' O ' HG21 ' A' ' 58' ' ' VAL . 17.4 m-85 -138.38 -39.05 0.53 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 111.02 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.47 HD21 ' CA ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -63.75 -50.1 70.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 57' ' ' LEU . 9.0 m 43.43 92.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 5.6 p-10 44.91 91.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.47 ' CA ' HD21 ' A' ' 57' ' ' LEU . 18.0 t0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.621 ' O ' ' CB ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -40.18 -37.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.621 ' CB ' ' O ' ' A' ' 2' ' ' ILE . 2.0 t80 81.39 -23.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.15 39.96 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.66 -17.35 64.64 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.405 1.066 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 m -66.92 -44.12 88.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.283 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 mp -70.95 -25.47 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.49 -45.65 65.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.56 -45.83 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.3 mm -63.73 -24.71 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -71.81 -47.5 52.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' CG ' ' HG3' ' A' ' 20' ' ' ARG . 25.1 mtpt -50.93 -38.87 52.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -81.61 -23.99 36.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.404 1.065 . . . . 0.0 110.049 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -79.18 -28.86 42.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 16' ' ' GLY . 2.4 mm-40 -99.76 -27.79 13.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' GLU . . . 37.62 51.59 1.89 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -125.19 145.11 49.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.625 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.53 4.6 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -104.15 -28.2 11.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.463 ' HG3' ' CG ' ' A' ' 12' ' ' LYS . 2.7 mmt180 -95.32 -51.26 4.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.91 -21.63 31.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -78.17 -25.88 47.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.057 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.68 -56.79 3.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.18 -27.7 67.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -65.71 -55.51 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -21.38 61.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.0 t -81.3 -41.02 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.33 -24.55 50.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -73.18 -30.53 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.374 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.6 m -76.75 -33.17 58.12 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -52.21 -25.84 10.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.346 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -81.83 -25.68 34.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.466 ' CD2' ' HB ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -66.4 -43.39 85.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.544 ' HA ' ' CE ' ' A' ' 50' ' ' LYS . 9.1 p -59.61 -24.13 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -86.56 -30.37 21.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -28.58 68.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.597 ' CD2' ' OD1' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -55.95 -28.41 56.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 111.012 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 40.3 t -68.61 -44.37 74.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -81.91 -27.99 33.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.429 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 4.1 m -79.83 -27.05 40.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.437 ' N ' ' HB3' ' A' ' 46' ' ' ASN . . . -51.33 -21.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 41' ' ' ALA . 1.0 OUTLIER -38.5 -87.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -68.69 -64.41 3.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.509 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.5 OUTLIER 161.09 44.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.454 0.738 . . . . 0.0 109.59 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.9 t -100.03 -24.9 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.597 ' OD1' ' CD2' ' A' ' 37' ' ' TYR . 1.3 p30 -55.48 -22.61 21.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.2 p -89.28 -25.75 21.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 108.331 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 91.1 m -84.62 -37.2 21.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.491 ' CG1' ' HA ' ' A' ' 46' ' ' ASN . 1.1 pt -76.81 -13.61 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.544 ' CE ' ' HA ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -80.46 -62.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.235 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -54.91 -17.0 3.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.23 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.8 -35.25 15.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -71.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.248 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.501 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -70.91 -48.15 55.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER 87.44 7.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.41 -43.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.482 ' HB3' ' CG ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -39.51 -44.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' LEU . 60.6 t 38.34 85.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER 61.16 92.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.58 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.9 mm -119.96 50.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -101.01 -24.4 14.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.986 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.96 61.9 2.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.63 52.23 0.72 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.109 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p -149.16 -47.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 109.246 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 mp -69.26 -25.11 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -52.05 62.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.52 -53.14 56.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mm -53.92 -23.84 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.72 -29.26 65.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -72.31 -36.91 69.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.4 m -82.94 -23.93 33.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -83.55 -25.83 30.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -99.49 -25.55 14.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.11 47.12 2.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.567 1.167 . . . . 0.0 111.039 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.48 170.7 7.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.529 0.782 . . . . 0.0 109.578 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -164.34 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.49 ' O ' ' CB ' ' A' ' 22' ' ' TYR . 5.1 m-85 -49.55 -21.88 1.1 Allowed 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -58.41 -39.87 80.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.6 -26.06 67.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.396 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.49 ' CB ' ' O ' ' A' ' 19' ' ' PHE . 12.7 t80 -59.01 -25.83 64.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.76 -55.15 5.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -62.72 -27.56 69.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.404 1.065 . . . . 0.0 110.246 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 1.2 m -54.81 -50.28 68.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.612 1.195 . . . . 0.0 109.918 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.13 -27.08 42.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.23 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.32 -48.38 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.31 -22.66 67.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -31.04 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.45 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 1.1 m -72.2 -26.94 62.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.417 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 8.3 tp10 -60.92 -26.64 67.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.304 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -83.39 -31.38 26.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.416 ' N ' HD21 ' A' ' 33' ' ' LEU . 1.3 mm? -50.97 -47.16 61.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 50' ' ' LYS . 3.5 p -62.43 -24.32 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.402 1.064 . . . . 0.0 109.375 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.11 -19.16 51.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -80.18 -25.61 39.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -55.97 -23.94 35.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 111.04 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -78.77 -39.21 36.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -82.3 -31.87 29.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.513 ' OG ' ' CG1' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -79.95 -26.21 40.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.432 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . . . -47.82 -22.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.346 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.418 ' N ' ' C ' ' A' ' 40' ' ' SER . 1.3 mt -75.14 55.32 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 109.286 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.431 ' O ' ' CG2' ' A' ' 45' ' ' VAL . . . 118.64 66.44 0.31 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.466 ' O ' ' O ' ' A' ' 40' ' ' SER . 21.7 m170 50.81 -134.18 1.62 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 0.746 . . . . 0.0 109.573 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.513 ' CG1' ' OG ' ' A' ' 40' ' ' SER . 5.2 t 70.46 -56.08 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.512 ' HA ' ' CG1' ' A' ' 49' ' ' ILE . 6.8 p30 -54.7 -20.11 7.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.577 1.173 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.462 ' HA ' ' N ' ' A' ' 59' ' ' ASP . 13.2 p -90.22 -26.78 19.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.238 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 45' ' ' VAL . 80.7 m -84.92 -44.69 12.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.512 ' CG1' ' HA ' ' A' ' 46' ' ' ASN . 2.4 pp -61.9 -50.7 79.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HE3' ' CD2' ' A' ' 57' ' ' LEU . 11.7 mttp -52.25 -54.79 26.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.478 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 31.5 tt0 -58.67 -16.67 17.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.86 -36.49 12.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' CG ' ' HB3' ' A' ' 30' ' ' SER . 0.0 OUTLIER -89.85 -68.43 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.18 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' LYS . 6.8 tpt180 -72.23 -42.23 65.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 51' ' ' GLU . 2.2 mt 73.11 10.97 5.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -144.73 -43.89 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -49.24 -47.14 46.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 57' ' ' LEU . 74.8 t 37.91 84.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.462 ' N ' ' HA ' ' A' ' 47' ' ' CYS . 7.7 t0 74.59 -56.32 0.64 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.475 ' HA ' ' CD2' ' A' ' 57' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.465 ' N ' ' CD1' ' A' ' 2' ' ' ILE . 3.4 mp -98.62 58.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.403 1.064 . . . . 0.0 109.241 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -86.55 -30.26 22.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.424 ' HB3' ' CD1' ' A' ' 7' ' ' ILE . 11.8 mttt -85.89 66.76 9.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.05 21.36 22.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.78 -30.01 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -81.51 -25.09 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.9 -42.24 58.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.13 -52.03 15.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.8 mt -53.41 -23.2 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.252 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 15' ' ' GLU . 2.3 mm-40 -77.07 -44.56 30.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -48.4 70.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.7 t -63.47 -27.44 69.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.594 1.184 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -85.8 -32.89 21.54 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.4 mm-40 -77.51 -44.0 30.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.11 97.79 0.39 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.063 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -102.05 162.4 20.43 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.472 0.748 . . . . 0.0 109.642 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -75.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -104.45 -27.58 11.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -55.33 -46.44 76.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . -60.18 -54.09 49.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -39.66 -28.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.6 mm? -80.72 -56.88 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -27.65 66.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.3 t -64.74 -50.74 65.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -22.2 63.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.0 t -81.34 -47.58 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.14 84.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -29.86 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 m -78.18 -35.9 48.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -52.02 -25.31 8.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.97 -27.36 33.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.32 -48.51 79.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.438 ' HA ' ' NH2' ' A' ' 53' ' ' ARG . 11.5 p -60.08 -27.95 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.21 -30.62 34.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -23.4 64.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -54.62 -43.69 72.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.637 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -53.79 -40.45 66.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -83.35 -38.61 21.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.2 m -64.26 -33.45 75.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -50.69 -22.4 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.182 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.425 ' C ' ' CD1' ' A' ' 42' ' ' LEU . 1.2 pp -45.01 -26.71 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' VAL . . . -152.64 56.46 0.44 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' GLY . 3.8 p-80 38.14 31.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.602 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' GLY . 99.0 t -83.43 -25.09 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.44 ' ND2' ' OD1' ' A' ' 59' ' ' ASP . 5.4 p30 -56.44 -19.05 13.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.457 ' O ' ' NZ ' ' A' ' 50' ' ' LYS . 12.1 t -88.45 -26.5 22.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 108.349 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.1 m -84.99 -20.8 29.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.579 ' CD1' ' N ' ' A' ' 50' ' ' LYS . 1.9 pp -87.05 -48.57 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.579 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -63.26 -27.2 69.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.507 ' O ' ' CG ' ' A' ' 55' ' ' LEU . 31.0 tt0 -39.34 -38.7 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -94.68 -64.45 1.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.438 ' NH2' ' HA ' ' A' ' 34' ' ' VAL . 4.9 tmm_? -36.13 -72.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.365 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.428 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -95.97 -56.15 2.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.354 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 50' ' ' LYS . 1.4 tt 82.57 21.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.45 ' C ' ' N ' ' A' ' 58' ' ' VAL . 0.5 OUTLIER -150.64 -44.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.476 HD21 ' CB ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -38.23 -32.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.472 ' O ' ' CG1' ' A' ' 58' ' ' VAL . 14.6 t 39.33 71.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.44 ' OD1' ' ND2' ' A' ' 46' ' ' ASN . 11.2 t0 70.29 -58.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.476 ' CB ' HD21 ' A' ' 57' ' ' LEU . 9.5 t70 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 76.4 mt -74.41 -60.83 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -170.01 -39.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.26 -141.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.46 -17.72 20.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.5 t -105.32 -41.74 6.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 109.24 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.3 mm -65.01 -25.04 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -74.15 -49.9 21.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.26 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.9 65.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.0 mm -55.64 -23.33 14.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.243 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -65.21 -45.54 84.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -82.5 -55.31 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -47.5 -24.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.973 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -65.91 -38.31 88.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' LYS . 39.3 mt-10 -99.72 -30.67 11.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.29 -76.62 0.39 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 111.06 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 175.3 97.4 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.608 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 150.86 38.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.4 1.737 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -57.09 -18.62 15.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.587 1.18 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -75.92 -40.86 53.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.244 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.41 -25.89 68.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -69.64 -36.56 76.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.75 -43.06 20.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.213 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -28.26 69.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.9 p -66.42 -39.14 88.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.949 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -52.1 -22.25 3.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 31' ' ' GLU . 54.2 t -81.16 -54.98 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.72 -29.29 70.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 mp -76.76 -55.65 10.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 29.3 m -64.69 -26.63 68.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' VAL . 33.3 tt0 -61.62 -25.15 67.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -83.02 -23.61 33.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.454 HD11 ' CD1' ' A' ' 49' ' ' ILE . 3.8 mm? -64.11 -48.72 75.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.406 HG11 ' NE ' ' A' ' 53' ' ' ARG . 8.7 m -60.81 -19.45 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.415 1.072 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -79.85 -16.56 55.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.6 OUTLIER -80.33 -27.77 38.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.611 ' HA ' ' CB ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -54.74 -21.36 10.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 111.046 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.49 -50.31 10.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 110.003 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -83.15 -59.58 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 36' ' ' LYS . 41.9 t -48.51 -26.36 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.032 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 37' ' ' TYR . . . -49.0 -88.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' ALA . 15.8 mt 36.23 35.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ALA . . . 137.7 -80.95 0.28 Allowed Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.412 ' HB3' ' O ' ' A' ' 43' ' ' GLY . 0.6 OUTLIER -178.26 48.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 0.818 . . . . 0.0 109.585 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 40' ' ' SER . 1.3 t -92.66 -41.7 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.389 1.055 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.611 ' CB ' ' HA ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -58.54 -29.44 66.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.468 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 7.9 p -51.49 -25.12 5.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 108.31 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.8 m -85.03 -28.24 25.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.531 ' CD1' ' C ' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -90.88 -14.03 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 46' ' ' ASN . 0.4 OUTLIER -78.13 -58.46 3.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -56.75 -17.07 7.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.32 -36.04 16.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 30' ' ' SER . 0.0 OUTLIER -90.66 -68.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.8 tpt85 -71.4 -51.68 22.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.242 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER 87.54 6.73 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -145.78 -44.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -43.82 -48.72 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.401 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 83.9 t 39.94 76.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.234 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 58' ' ' VAL . 11.2 t0 75.07 -57.62 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.469 ' HA ' ' CD1' ' A' ' 57' ' ' LEU . 8.3 t0 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.2 mt -109.09 52.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.234 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -100.21 -24.55 14.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 5' ' ' GLY . 3.6 ptmt -99.8 -141.82 0.33 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.435 ' O ' ' CB ' ' A' ' 9' ' ' ALA . . . 78.46 9.82 86.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.073 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.503 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -112.35 -48.05 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.57 0.806 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.435 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 1.1 pt -70.15 -25.04 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.91 -36.36 12.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 5' ' ' GLY . . . -71.96 -54.9 8.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.503 ' CG1' ' O ' ' A' ' 6' ' ' VAL . 1.2 pp -64.07 -23.38 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -56.07 -50.58 70.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 110.312 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -82.47 -53.22 6.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.373 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 m -46.3 -25.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.026 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -63.54 -40.38 96.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' LYS . 29.9 mt-10 -99.7 -30.45 12.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.71 -48.82 55.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -124.72 153.54 70.24 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.56 0.8 . . . . 0.0 109.583 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 56.64 4.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -101.07 -20.27 15.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -40.97 -44.63 2.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.12 -65.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -44.08 -25.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.62 -55.52 4.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -62.14 -27.61 69.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -60.13 -48.74 80.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.03 -24.24 52.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.7 t -81.24 -42.63 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.29 -22.32 59.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.1 -30.17 49.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -64.18 -31.14 72.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 3.4 pt-20 -56.37 -25.63 50.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.262 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -82.04 -23.04 36.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.175 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.471 ' CB ' ' HG3' ' A' ' 53' ' ' ARG . 4.0 mm? -75.51 -34.17 60.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.47 ' HA ' ' CE ' ' A' ' 50' ' ' LYS . 7.4 p -61.33 -24.05 32.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.224 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -86.94 -13.75 43.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.256 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -26.09 38.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.646 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -56.2 -34.05 65.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.951 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.646 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -66.95 -37.49 84.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.967 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -83.43 -55.96 4.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.435 ' CB ' HG23 ' A' ' 49' ' ' ILE . 9.3 m -45.65 -27.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.499 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -49.07 -93.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.499 ' C ' ' O ' ' A' ' 41' ' ' ALA . 0.2 OUTLIER 32.74 42.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . 151.21 -79.67 0.2 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 0.5 OUTLIER 177.15 51.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.564 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 48' ' ' THR . 1.0 OUTLIER -110.24 -24.22 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.515 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 8.9 p30 -54.03 -31.63 51.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.471 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 12.8 p -77.56 -23.96 49.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 108.252 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' VAL . 23.6 m -86.81 -40.18 15.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.376 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.461 HD12 ' CB ' ' A' ' 37' ' ' TYR . 1.9 pp -71.28 -40.91 74.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -50.59 -58.16 6.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -19.11 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.48 -32.32 13.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.471 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -73.81 -68.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 0.0 110.352 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.53 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 7.6 tpm_? -94.3 -45.96 7.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.53 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER 90.13 24.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -160.74 -42.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.508 ' CD2' ' C ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -45.68 -61.06 1.86 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 59' ' ' ASP . 68.5 t 64.03 105.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.456 ' CB ' ' OD1' ' A' ' 46' ' ' ASN . 26.8 t0 40.84 91.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.415 1.072 . . . . 0.0 109.277 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.508 ' C ' ' CD2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.38 1.05 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.6 pt -91.06 41.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -94.06 -39.35 10.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.32 -141.12 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 87.86 -17.58 44.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.01 -40.9 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.776 . . . . 0.0 109.259 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 pt -58.01 -25.12 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -61.61 -55.49 30.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.83 -50.2 65.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.3 mt -50.68 -23.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 15' ' ' GLU . 2.1 tt0 -70.21 -35.36 73.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -61.31 -37.72 84.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.91 -23.32 39.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.023 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -85.47 -24.99 27.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.8 mm-40 -99.55 -24.85 14.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.07 42.36 2.95 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.431 1.082 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.456 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 1.1 p80 -102.86 109.51 61.41 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.512 0.772 . . . . 0.0 109.594 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 162.64 36.64 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -47.1 -23.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -52.26 59.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.66 -24.81 67.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.371 1.044 . . . . 0.0 109.234 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -78.4 -27.27 46.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.65 -55.8 4.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.73 -27.47 63.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -60.54 -55.48 32.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -53.32 -25.48 15.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.408 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 41.6 t -81.42 -48.59 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.65 -23.14 66.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.29 -30.05 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 3.8 m -64.33 -26.15 68.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.032 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.408 ' OE2' ' O ' ' A' ' 27' ' ' VAL . 5.7 mm-40 -64.91 -25.22 67.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 36' ' ' LYS . 4.6 mt-10 -84.58 -23.24 29.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.433 HD13 ' CB ' ' A' ' 53' ' ' ARG . 2.4 mm? -59.23 -49.36 78.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.559 ' CG2' ' NZ ' ' A' ' 50' ' ' LYS . 9.8 p -68.49 -28.1 39.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -82.58 -18.39 41.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 110.278 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -76.7 -25.64 53.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.598 ' CD2' ' OD1' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -55.59 -29.93 59.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.073 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.412 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -70.1 -42.17 73.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.65 -25.56 32.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.157 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 36' ' ' LYS . 28.9 m -79.91 -27.69 39.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.456 ' CA ' ' HB3' ' A' ' 46' ' ' ASN . . . -51.04 -21.77 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -39.53 -66.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 45' ' ' VAL . . . -112.37 63.45 0.28 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER 37.59 31.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.616 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' GLY . 7.5 t -85.83 -25.71 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.598 ' OD1' ' CD2' ' A' ' 37' ' ' TYR . 1.0 OUTLIER -56.73 -18.22 11.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.3 p -88.26 -27.64 21.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 108.318 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 55.3 m -84.65 -42.51 15.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.396 1.06 . . . . 0.0 110.416 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.405 HD11 ' N ' ' A' ' 50' ' ' LYS . 1.6 pp -62.25 -39.96 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.559 ' NZ ' ' CG2' ' A' ' 34' ' ' VAL . 2.5 tptp -60.23 -62.9 1.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -17.47 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -64.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.093 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.593 ' CZ ' ' CZ ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -85.02 -67.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.257 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.593 ' CZ ' ' CZ ' ' A' ' 53' ' ' ARG . 26.2 mmt180 -50.29 -51.54 44.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 62.66 13.41 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.415 ' O ' HG13 ' A' ' 58' ' ' VAL . 28.4 m-85 -145.04 -37.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.492 ' CD2' ' HA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -63.02 -46.45 87.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 57' ' ' LEU . 3.5 p 43.98 95.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' A' ' 58' ' ' VAL . 0.6 OUTLIER 43.12 93.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.492 ' HA ' ' CD2' ' A' ' 57' ' ' LEU . 7.7 t0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 4' ' ' LYS . 28.3 mm 43.26 59.97 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 2' ' ' ILE . 0.3 OUTLIER 68.96 -59.15 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 2' ' ' ILE . 0.1 OUTLIER -87.13 -138.76 0.09 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 109.247 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.19 -16.6 38.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.1 t -117.75 -50.69 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.515 0.774 . . . . 0.0 109.257 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.9 pt -62.9 -25.1 37.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -54.81 19.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.23 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -45.63 92.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.1 mt -54.13 -35.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' GLU . 2.1 mt-30 -60.09 -35.05 74.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.448 1.093 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -43.36 99.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -21.18 46.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.54 -25.37 26.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -99.66 -25.92 14.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.42 -22.25 44.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.415 1.072 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -87.08 166.0 28.6 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.531 0.783 . . . . 0.0 109.552 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.37 4.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -60.39 -18.43 50.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -46.67 86.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 17' ' ' HIS . . . -58.82 -42.18 88.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -49.6 -28.74 6.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.96 -56.59 4.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.61 1.193 . . . . 0.0 109.242 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -59.29 -27.58 65.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 29' ' ' ILE . 15.9 m -68.73 -56.15 9.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.599 1.187 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.2 -22.44 65.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.403 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 52.2 t -79.28 -45.97 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.45 -19.9 55.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 25' ' ' SER . 6.6 mm -78.78 -23.97 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.0 p -68.83 -27.58 65.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.94 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.475 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 12.5 mm-40 -60.65 -32.55 71.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -82.54 -23.43 34.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.461 ' CB ' ' HG3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -57.19 -45.76 83.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' A' ' 31' ' ' GLU . 4.3 p -60.68 -27.31 40.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.33 -19.19 30.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.36 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -23.87 50.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.658 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -54.77 -42.68 72.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.658 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -55.52 -42.02 73.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.075 179.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.84 -56.04 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.402 ' O ' ' HB ' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -45.31 -28.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.509 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -49.27 -94.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.509 ' C ' ' O ' ' A' ' 41' ' ' ALA . 1.8 mt 31.39 61.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.61 -87.2 0.4 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.432 1.083 . . . . 0.0 111.052 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.573 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 1.2 t-80 -169.28 96.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.78 . . . . 0.0 109.644 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.497 ' CG2' ' C ' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -155.93 -39.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.488 ' HB3' ' O ' ' A' ' 37' ' ' TYR . 7.4 p30 -53.82 -20.03 5.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.573 ' SG ' ' CD2' ' A' ' 44' ' ' HIS . 10.7 p -80.58 -34.69 35.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 52.8 m -85.16 -31.51 23.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.51 ' CD1' ' C ' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -66.31 -40.65 87.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HE3' ' CG ' ' A' ' 37' ' ' TYR . 3.7 mttm -70.47 -37.32 74.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 1.3 tt0 -58.62 -20.33 46.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.371 1.044 . . . . 0.0 110.27 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.81 -55.68 2.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.168 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.461 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -59.12 -69.58 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -81.76 -55.18 4.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.574 1.171 . . . . 0.0 110.363 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER 88.25 22.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -155.72 -42.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.486 ' O ' ' C ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -46.07 -29.22 1.42 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.486 ' C ' ' O ' ' A' ' 57' ' ' LEU . 13.1 p 33.69 67.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.468 ' CB ' ' OD1' ' A' ' 46' ' ' ASN . 0.0 OUTLIER 63.6 107.96 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.552 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 12.4 t70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -124.02 -99.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.204 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 67.36 -64.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 2' ' ' ILE . 0.3 OUTLIER -97.05 -140.79 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.369 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.452 ' O ' ' CB ' ' A' ' 9' ' ' ALA . . . 84.68 1.96 88.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.504 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 14.9 p -113.83 -54.71 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.422 0.719 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.411 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 2.0 pt -51.98 -26.09 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -97.29 -44.99 6.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 5' ' ' GLY . . . -60.68 -34.46 74.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.504 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 4.0 pt -79.09 -23.33 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 14' ' ' ASP . 4.0 mm100 -68.6 -49.37 59.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.6 mptp? -47.06 -49.36 21.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.605 1.19 . . . . 0.0 109.356 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.84 -28.77 62.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.051 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.9 m-20 -85.75 -26.66 25.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.44 -69.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . -42.95 -77.92 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -68.34 162.95 57.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.635 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 96.05 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.548 1.815 . . . . 0.0 111.055 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -56.86 -31.38 64.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -42.87 -54.34 4.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.87 -59.42 2.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -37.76 -33.54 0.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.509 1.13 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.92 -56.76 3.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.12 -27.41 45.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -76.41 -55.88 5.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.32 -24.36 66.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.92 -57.7 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 109.243 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.71 -24.48 57.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.7 mm -82.59 -24.12 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.9 p -73.1 -33.86 65.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.022 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.498 ' OE2' ' CG2' ' A' ' 34' ' ' VAL . 8.4 tp10 -51.9 -25.14 7.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -76.44 -30.91 57.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -65.28 -49.24 70.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.596 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 16.2 m -63.91 -23.37 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -87.21 -37.1 17.57 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -67.52 -24.62 65.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -55.46 -24.82 33.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.988 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.62 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 44.1 t -79.48 -38.53 34.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.943 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.57 -57.72 3.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.473 ' CB ' HG12 ' A' ' 45' ' ' VAL . 9.9 p -54.31 -27.53 36.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.151 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 37' ' ' TYR . . . -47.92 -91.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 73.37 -56.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.463 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -171.91 65.78 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.525 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 1.4 t60 84.56 91.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 109.595 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 44' ' ' HIS . 29.5 t -160.73 -42.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.252 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.44 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 0.7 OUTLIER -54.08 -33.68 58.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.351 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.423 ' HA ' ' N ' ' A' ' 59' ' ' ASP . 7.8 p -63.66 -24.69 67.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 108.272 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.1 m -85.37 -45.76 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.392 1.058 . . . . 0.0 110.405 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 33' ' ' LEU . 1.5 pp -71.26 -37.47 66.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.558 ' HE3' ' CD2' ' A' ' 37' ' ' TYR . 7.8 mttt -64.91 -59.07 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -55.48 -17.2 4.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -52.16 16.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.506 ' HD3' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -90.85 -69.17 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.506 ' N ' ' HD3' ' A' ' 53' ' ' ARG . 3.1 tpt180 -55.72 -52.96 62.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.418 ' CD1' ' O ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER 79.06 4.41 2.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -140.14 -43.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -40.0 -61.05 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.8 t 53.14 77.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 10.6 t0 60.27 100.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.472 ' HB3' ' CD1' ' A' ' 57' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp -97.3 47.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -93.84 -27.98 16.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 111.01 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.32 -140.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.16 48.35 32.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.53 1.143 . . . . 0.0 111.048 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.7 p -166.22 -46.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 0.772 . . . . 0.0 109.245 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 pt -74.48 -25.14 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.25 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -32.93 74.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.05 -46.39 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.8 mt -51.84 -44.47 37.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.23 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -63.56 -26.32 68.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' GLU . 12.8 mttt -82.38 -64.28 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 17' ' ' HIS . 26.9 m -46.11 -25.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.968 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -63.2 -40.71 98.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 12' ' ' LYS . 3.5 mt-10 -99.76 -28.52 13.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.191 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.83 55.23 0.63 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.403 ' CB ' ' O ' ' A' ' 13' ' ' SER . 0.1 OUTLIER 178.07 97.37 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 109.646 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -45.58 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -55.13 -17.89 4.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -76.1 -38.8 56.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.3 -22.3 61.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -73.46 -29.69 62.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.61 -54.48 5.62 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -27.52 62.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.343 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -62.26 -50.87 70.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -56.23 -23.74 37.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.078 . . . . 0.0 110.277 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.9 t -81.25 -40.9 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.73 -24.04 59.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.406 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -76.57 -30.53 19.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m -66.0 -34.91 79.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.002 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -53.11 -25.45 13.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -80.36 -25.6 39.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.468 ' CD1' HD11 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -63.17 -48.08 79.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.3 p -60.32 -21.24 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -80.04 -39.72 29.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.361 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -61.73 -23.78 66.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.618 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -55.17 -36.35 65.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.618 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 36.3 t -61.28 -43.6 98.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -83.3 -23.93 32.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.366 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' LYS . 10.8 m -80.0 -30.3 39.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -51.46 -20.48 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' ALA . 0.7 OUTLIER -37.65 -58.19 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . -129.81 66.78 0.57 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.107 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 44' ' ' HIS . 5.8 t-160 34.46 58.08 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.573 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.7 t -111.11 -24.24 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.343 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.512 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 1.5 p30 -55.45 -23.47 25.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.458 ' HB3' ' CD2' ' A' ' 44' ' ' HIS . 10.7 t -87.86 -27.73 22.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 108.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.523 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 17.2 m -84.68 -18.92 33.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 33' ' ' LEU . 2.0 pp -94.04 -45.33 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.632 ' HZ3' ' N ' ' A' ' 56' ' ' PHE . 0.7 OUTLIER -66.66 -30.79 71.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -44.56 -28.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.457 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -95.56 -29.74 14.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -73.96 -72.15 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.609 1.193 . . . . 0.0 110.331 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.55 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -96.04 -55.83 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.55 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER 91.33 25.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.632 ' N ' ' HZ3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -153.42 -37.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -38.82 -29.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 0.0 109.335 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.475 ' N ' ' C ' ' A' ' 56' ' ' PHE . 15.0 p 36.16 63.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 58' ' ' VAL . 5.8 t70 80.09 -54.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.473 ' HA ' ' CD1' ' A' ' 57' ' ' LEU . 15.1 t70 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.537 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 17.6 pt -74.92 -35.89 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.537 ' CD2' ' O ' ' A' ' 2' ' ' ILE . 0.8 OUTLIER -172.58 -38.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.88 -100.24 0.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.25 49.39 50.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.427 1.079 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.41 HG12 ' CD1' ' A' ' 7' ' ' ILE . 7.6 p -163.92 -48.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.41 ' CD1' HG12 ' A' ' 6' ' ' VAL . 2.7 mp -85.12 -25.19 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.73 -56.29 16.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.88 79.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.261 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.4 mt -55.47 -24.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.274 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -77.31 -28.41 53.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -31.04 49.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 p -81.37 -24.23 37.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.031 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.27 -26.04 33.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.212 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -99.64 -25.01 14.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.591 ' O ' ' CD2' ' A' ' 17' ' ' HIS . . . -54.94 -46.24 77.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.566 1.166 . . . . 0.0 111.063 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 16' ' ' GLY . 6.3 m170 -158.38 155.84 26.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.546 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -68.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.536 1.808 . . . . 0.0 110.973 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.83 -25.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -55.42 -49.29 72.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' GLU . . . -48.61 -56.69 7.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -39.92 -28.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.172 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -79.9 -50.2 10.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.619 1.199 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' ALA . 6.6 tt0 -67.87 -27.51 66.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.262 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 t -62.74 -56.14 20.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.046 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -52.95 -22.53 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.4 t -81.35 -53.34 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.07 -32.83 74.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.444 ' CD1' ' OE1' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -68.68 -30.96 48.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.379 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 65.9 m -68.31 -34.71 76.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.03 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -52.77 -24.2 8.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.234 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.444 ' OE1' ' CD1' ' A' ' 29' ' ' ILE . 2.2 pt-20 -81.09 -24.09 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -69.52 -49.17 57.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.473 ' HA ' ' CD ' ' A' ' 50' ' ' LYS . 9.9 p -62.57 -18.62 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.67 -19.04 36.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -80.27 -25.29 39.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -55.58 -23.4 26.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 111.039 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.14 -42.22 26.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.604 1.19 . . . . 0.0 110.029 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -83.34 -56.65 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 36' ' ' LYS . 5.1 t -45.66 -27.0 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.03 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.468 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -48.1 -92.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' A' ' 41' ' ' ALA . 3.5 pp 34.17 39.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 109.319 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ALA . . . 142.97 -82.46 0.22 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 43' ' ' GLY . 0.5 OUTLIER -178.91 56.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.578 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.429 ' HB ' ' O ' ' A' ' 40' ' ' SER . 0.9 OUTLIER -111.09 -26.44 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.117 . . . . 0.0 109.217 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.503 ' CB ' ' HA ' ' A' ' 37' ' ' TYR . 7.5 p-10 -56.02 -33.02 64.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 6.8 p -70.95 -20.53 62.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.3 m -82.84 -31.83 27.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 110.369 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.564 ' CD1' ' N ' ' A' ' 50' ' ' LYS . 1.9 pp -92.42 -49.03 13.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.564 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -56.43 -44.88 80.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 32.8 tt0 -67.01 -15.4 63.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 110.364 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.83 -29.74 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HD3' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -91.28 -68.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.476 ' N ' ' HD3' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -67.1 -50.13 62.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.426 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER 83.35 0.83 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -135.57 -41.81 0.7 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.484 ' CD1' ' HA ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -45.7 -37.08 5.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' LEU . 95.6 t 38.91 72.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.525 ' CG ' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER 74.62 -54.97 0.66 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.525 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 58.9 t0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 mm -119.72 38.04 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.42 -43.63 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -100.02 -141.02 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.65 -14.8 54.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.122 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 7' ' ' ILE . 9.3 p -107.0 -30.07 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.4 ' N ' HG12 ' A' ' 6' ' ' VAL . 8.5 mt -66.94 -25.1 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -52.49 28.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.27 79.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.239 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.4 mt -51.51 -23.29 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -82.43 -41.62 19.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.267 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -61.76 -38.2 87.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.1 m -78.91 -22.74 45.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.17 . . . . 0.0 110.053 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -83.2 -28.68 29.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -98.2 -25.04 15.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . 39.67 81.11 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -84.04 156.67 63.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.604 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -70.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.516 1.798 . . . . 0.0 111.05 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -91.85 -50.61 5.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -45.68 -32.24 2.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.96 -58.97 5.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -46.1 -30.77 2.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.4 tp -80.85 -52.39 7.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -27.53 62.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -59.29 -55.7 31.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.26 -23.38 47.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.4 t -81.25 -43.97 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.69 -29.05 63.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -31.05 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.8 p -77.59 -37.99 49.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -52.82 -25.82 12.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -83.46 -24.98 31.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.415 ' CD1' ' HB ' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -67.44 -48.53 66.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.341 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.416 ' HB ' ' NH2' ' A' ' 53' ' ' ARG . 9.8 p -61.77 -19.31 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.36 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -81.5 -24.33 36.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.1 OUTLIER -80.36 -24.94 39.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -55.36 -24.9 31.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.151 . . . . 0.0 111.057 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 t -81.47 -45.0 16.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.953 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.57 -57.48 3.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' LYS . 11.3 p -54.81 -27.75 44.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.066 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 37' ' ' TYR . . . -51.3 -24.11 4.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -78.02 55.64 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 168.48 -81.55 0.1 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.099 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.511 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.3 OUTLIER 162.13 43.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 0.793 . . . . 0.0 109.584 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 t -113.6 -27.15 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.525 ' HA ' ' CG1' ' A' ' 49' ' ' ILE . 14.7 p-10 -55.71 -21.93 21.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.442 ' HB3' ' CB ' ' A' ' 59' ' ' ASP . 1.3 p -89.85 -26.28 20.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 108.301 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.88 -23.54 33.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.525 ' CG1' ' HA ' ' A' ' 46' ' ' ASN . 1.2 pt -92.27 -37.08 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.582 1.176 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 3.1 mmmt -75.2 -61.74 1.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.205 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 1.8 tt0 -45.08 -23.73 0.18 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.589 1.181 . . . . 0.0 110.319 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.6 tp -95.83 -57.86 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.552 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -59.95 -70.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.552 ' N ' ' CD ' ' A' ' 53' ' ' ARG . 18.4 ttt180 -79.26 -55.28 5.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.537 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER 90.97 15.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -134.46 -41.92 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -82.61 53.86 2.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 52.3 t -64.75 73.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER 80.69 -52.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.474 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 4.7 t0 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 mm 40.67 68.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -168.52 -40.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 111.034 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -82.51 60.0 4.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.39 56.92 0.7 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.507 1.13 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -150.73 -47.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.553 0.796 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.1 -25.16 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' O ' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -67.87 -46.16 72.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.24 83.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.0 mm -59.75 -23.12 25.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -83.52 -34.44 25.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.346 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -82.18 -59.74 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.8 t -45.97 -25.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.027 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' A' ' 12' ' ' LYS . 26.3 t0 -63.25 -40.68 98.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LYS . 34.4 mt-10 -99.84 -30.69 11.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.418 1.074 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 38.14 75.87 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.401 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 4.0 m80 -63.39 159.92 46.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.439 0.729 . . . . 0.0 109.593 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -69.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 111.045 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -70.94 -55.79 7.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.11 -43.98 3.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 17' ' ' HIS . . . -50.28 -66.03 0.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -41.57 -28.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -56.68 3.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -27.72 57.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 t -60.72 -56.25 23.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.36 -21.52 25.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.412 1.07 . . . . 0.0 110.268 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.1 t -81.38 -47.57 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.87 -30.87 67.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -67.66 -31.3 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.441 ' OG ' ' NH1' ' A' ' 53' ' ' ARG . 20.4 p -76.71 -36.93 56.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -52.75 -25.69 11.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -31.17 28.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.68 -47.9 75.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.6 p -60.73 -22.15 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -86.74 -22.97 25.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -73.56 -24.38 60.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.663 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -55.31 -43.81 75.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.663 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -52.15 -42.64 63.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.963 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -83.81 -56.45 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.4 ' O ' ' HB ' ' A' ' 45' ' ' VAL . 1.3 m -46.21 -26.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -48.3 -93.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 41' ' ' ALA . 27.3 mt 33.07 45.31 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.81 -81.84 0.21 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.34 38.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.572 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' THR . 2.5 t -97.95 -24.92 4.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.495 ' HB3' ' O ' ' A' ' 37' ' ' TYR . 13.1 p30 -54.21 -22.03 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.411 ' HB3' ' CG ' ' A' ' 59' ' ' ASP . 2.8 p -88.35 -27.08 21.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 108.293 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 45' ' ' VAL . 22.1 m -85.14 -19.39 31.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.455 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.57 ' CD1' ' N ' ' A' ' 50' ' ' LYS . 1.7 pp -89.56 -48.29 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.57 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -63.91 -12.47 37.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.441 ' N ' ' HE3' ' A' ' 50' ' ' LYS . 9.3 tt0 -73.49 -22.45 60.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.17 -23.69 20.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.551 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -83.07 -67.73 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.551 ' N ' ' CD ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -93.28 -54.73 3.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.47 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER 85.53 30.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.476 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 28.7 t80 -167.72 -39.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.499 ' CD2' ' C ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -38.85 -30.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.495 ' N ' ' HD3' ' A' ' 50' ' ' LYS . 69.2 t 53.84 83.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.428 ' OD1' ' C ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER 69.62 -60.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.345 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.499 ' C ' ' CD2' ' A' ' 57' ' ' LEU . 16.9 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.491 HG23 HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.491 HD12 HG23 ' A' ' 6' ' ' VAL . 2.7 mp -85.34 -25.16 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -41.34 23.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -53.56 55.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.12 -24.62 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' ASP . 9.5 mt-30 -75.14 -55.88 5.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' GLU . 12.2 mtpp -44.82 -61.63 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.1 m -51.69 -24.65 5.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.051 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -85.66 -27.08 25.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.424 1.077 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LYS . 3.0 tt0 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -43.6 -26.06 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.47 -56.49 4.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.35 -27.66 64.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 t -54.18 -55.73 25.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.596 1.185 . . . . 0.0 110.056 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.449 ' O ' HG22 ' A' ' 29' ' ' ILE . 9.6 mt-10 -59.46 -23.24 62.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.3 t -81.4 -39.69 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.39 -25.18 50.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.449 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -71.83 -30.51 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.459 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 2.8 m -74.09 -31.76 62.95 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.45 1.094 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -52.06 -25.57 8.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -74.6 -39.03 62.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.12 -42.69 63.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.92 -22.0 25.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -86.14 -27.11 24.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.235 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.7 OUTLIER -73.27 -24.98 60.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.619 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -55.68 -33.18 63.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.619 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -65.11 -43.11 93.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 110.023 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.46 -25.58 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -80.14 -30.01 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.034 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -51.16 -21.64 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -40.44 -33.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . -148.98 61.59 0.43 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER 37.08 38.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.539 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.421 ' HB ' ' CB ' ' A' ' 40' ' ' SER . 11.9 t -86.47 -25.09 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.443 ' ND2' ' OD1' ' A' ' 59' ' ' ASP . 1.5 p30 -56.43 -41.09 75.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.38 1.05 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.51 ' HB2' HG13 ' A' ' 58' ' ' VAL . 6.5 p -70.62 -20.59 62.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 108.262 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.8 m -83.53 -37.63 22.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.715 HD12 ' N ' ' A' ' 50' ' ' LYS . 2.2 pp -83.29 -45.99 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.824 ' HD3' HD13 ' A' ' 57' ' ' LEU . 31.6 mttt -54.85 -44.74 74.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.965 ' O ' HD22 ' A' ' 55' ' ' LEU . 1.9 tm-20 -63.24 -17.4 62.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.81 -39.62 10.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.676 ' NH1' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -82.99 -67.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.242 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -73.74 -52.24 13.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.965 HD22 ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER 87.43 12.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -153.13 -43.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.944 HD23 ' O ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -40.91 -47.25 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.51 HG13 ' HB2' ' A' ' 47' ' ' CYS . 97.0 t 39.76 73.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 58' ' ' VAL . 12.4 t0 78.94 -55.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.224 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.944 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.2 t0 . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 7' ' ' ILE . 8.3 p . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.407 ' N ' HG13 ' A' ' 6' ' ' VAL . 34.2 mm -73.96 -25.35 20.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -65.14 -50.07 67.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.03 93.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -56.73 -63.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' GLU . 13.7 pt20 -57.91 -40.22 79.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -52.02 -50.57 61.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -77.6 -22.29 51.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.041 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -75.04 -31.12 61.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.8 pt-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 23' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -42.63 -26.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' A' ' 21' ' ' ALA . 1.2 mt -80.45 -56.52 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -59.07 -27.67 65.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.9 t -60.99 -56.23 23.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -55.41 -21.77 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.6 t -81.24 -52.45 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.369 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.466 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -66.07 -42.84 88.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -29.5 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.45 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 12.5 m -68.38 -29.7 68.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 0.0 110.029 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -57.11 -25.61 59.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -79.45 -22.98 43.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.488 HD12 ' HB ' ' A' ' 49' ' ' ILE . 2.4 mm? -72.0 -48.08 47.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.88 HG23 ' NZ ' ' A' ' 50' ' ' LYS . 5.8 p -64.01 -26.13 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -86.13 -19.94 29.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -77.71 -25.57 49.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.619 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -56.55 -33.16 65.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.619 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -64.7 -41.22 96.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -82.74 -27.1 31.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.423 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 1.0 OUTLIER -80.1 -27.46 39.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.991 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -50.66 -22.35 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.75 55.39 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 162.32 -81.51 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.529 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER 160.25 47.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 109.585 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.1 t -111.16 -27.13 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.496 ' HA ' ' CG1' ' A' ' 49' ' ' ILE . 10.0 p-10 -56.68 -18.67 13.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.456 ' HA ' ' N ' ' A' ' 59' ' ' ASP . 13.1 p -88.6 -26.18 22.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 108.272 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.0 m -84.65 -56.01 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.443 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.496 ' CG1' ' HA ' ' A' ' 46' ' ' ASN . 1.1 pp -46.8 -65.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.88 ' NZ ' HG23 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -48.31 -50.68 29.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.579 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -38.37 -32.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.237 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -94.92 -64.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' CG ' ' HB3' ' A' ' 30' ' ' SER . 0.0 OUTLIER -40.08 -68.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -94.42 -55.12 3.28 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 51' ' ' GLU . 0.6 OUTLIER 83.31 25.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -142.93 -44.52 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -67.11 -44.88 78.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.409 HG12 ' C ' ' A' ' 57' ' ' LEU . 2.4 p 40.62 89.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.358 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.456 ' N ' ' HA ' ' A' ' 47' ' ' CYS . 2.8 t0 53.55 99.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.564 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 30.5 t0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.4 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -86.14 -25.13 6.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -51.96 40.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -53.84 53.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.3 mm -57.63 -23.31 19.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -75.1 -35.21 61.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -38.41 72.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.189 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.4 t -71.02 -25.76 62.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.952 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -85.68 -24.76 26.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.391 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.243 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -79.28 -25.19 42.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -80.63 -55.67 4.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.253 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.7 -27.6 68.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -59.97 -56.26 23.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.3 -21.41 34.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.1 t -81.36 -45.64 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.228 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.9 -27.18 61.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -73.85 -31.02 29.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.419 ' HB3' ' NH1' ' A' ' 53' ' ' ARG . 43.6 m -78.17 -36.82 47.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 110.052 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' O ' HG12 ' A' ' 34' ' ' VAL . 34.8 tt0 -52.21 -25.53 9.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 110.243 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.444 ' OE1' ' CA ' ' A' ' 32' ' ' GLU . 2.1 tp10 -83.19 -24.11 32.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 2.2 mm? -68.14 -48.4 65.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 31' ' ' GLU . 1.5 p -60.57 -30.15 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -79.4 -26.39 41.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -25.97 61.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.723 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -58.61 -25.82 63.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.611 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 12.7 t -68.83 -45.09 72.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.872 ' O ' HD23 ' A' ' 42' ' ' LEU . 1.2 m-20 -83.41 -28.81 28.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.443 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 1.2 m -80.13 -27.01 39.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 110.031 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -54.2 -19.85 5.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.872 HD23 ' O ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -85.1 46.76 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.8 ' O ' HG23 ' A' ' 45' ' ' VAL . . . 158.82 40.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.566 1.166 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' GLY . 28.9 m170 35.57 35.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 109.609 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 43' ' ' GLY . 57.3 t -92.81 -27.75 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.376 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.504 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 4.8 p-10 -58.02 -29.79 65.6 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 11.4 p -80.07 -25.23 40.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 108.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.0 m -83.56 -26.95 29.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.476 ' CD1' ' HG2' ' A' ' 50' ' ' LYS . 1.9 pp -91.72 -36.67 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -74.88 -46.5 35.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.735 ' O ' HD12 ' A' ' 55' ' ' LEU . 11.8 tt0 -39.06 -31.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -94.98 -64.39 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.531 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -39.85 -69.27 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.531 ' N ' ' CD ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -94.88 -55.4 3.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER 88.34 23.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.71 -44.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.039 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' A' ' 60' ' ' ASP . 1.1 tm? -47.01 -43.62 19.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 60' ' ' ASP . 43.9 t 39.01 63.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER 68.26 -59.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.55 ' HB2' HD13 ' A' ' 57' ' ' LEU . 9.4 t70 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.658 ' O ' HG23 ' A' ' 10' ' ' ILE . 74.3 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.608 ' H ' HD12 ' A' ' 7' ' ' ILE . 4.5 mp -48.27 -25.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.21 -47.81 6.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.87 -46.19 88.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.658 HG23 ' O ' ' A' ' 6' ' ' VAL . 4.3 pt -67.06 -23.91 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -67.08 -46.6 73.8 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.446 1.091 . . . . 0.0 110.201 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -66.21 -38.42 87.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.5 t -68.7 -25.77 64.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.051 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -85.78 -27.31 25.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.245 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -43.59 -26.17 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 110.943 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.86 -56.6 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -27.62 66.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 t -63.15 -55.69 23.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.072 . . . . 0.0 110.049 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.49 ' O ' HG22 ' A' ' 29' ' ' ILE . 3.0 tt0 -55.53 -21.82 18.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.5 t -80.9 -45.3 21.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.165 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.5 -23.73 58.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.698 HD13 ' HG2' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -71.65 -30.45 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.409 ' O ' ' NH1' ' A' ' 53' ' ' ARG . 13.8 m -64.02 -32.9 74.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.727 ' O ' HG12 ' A' ' 34' ' ' VAL . 27.7 tt0 -56.0 -25.37 43.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.698 ' HG2' HD13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -82.62 -23.13 34.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.498 HD12 ' HB ' ' A' ' 49' ' ' ILE . 1.2 mm? -67.3 -40.55 86.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.727 HG12 ' O ' ' A' ' 31' ' ' GLU . 3.1 p -60.71 -24.57 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -33.22 20.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -60.98 -25.14 66.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.813 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -65.99 -26.09 67.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.619 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 34.2 t -72.02 -39.95 68.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.952 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -83.92 -36.65 23.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.7 p -75.51 -26.32 58.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.97 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.813 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -50.22 -22.32 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.06 55.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . 166.87 -80.65 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.422 1.076 . . . . 0.0 111.042 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 1.6 m-70 160.91 45.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.549 HG13 HG23 ' A' ' 49' ' ' ILE . 2.4 t -111.32 -27.62 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.511 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 7.9 p-10 -56.58 -23.38 40.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.7 p -88.79 -22.92 23.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.317 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.8 m -83.38 -47.02 11.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.37 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.549 HG23 HG13 ' A' ' 45' ' ' VAL . 15.7 pt -63.38 -48.02 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -47.63 -59.99 2.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.834 ' O ' HD23 ' A' ' 55' ' ' LEU . 4.8 tt0 -40.07 -27.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.456 ' N ' ' C ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -95.58 -59.51 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -55.93 -70.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.834 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -81.8 -55.28 4.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.834 HD12 ' O ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER 88.59 23.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -169.19 -46.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.504 HD21 ' C ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -41.8 -38.53 1.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 41.3 t 41.81 89.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.359 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.45 ' OD1' ' ND2' ' A' ' 46' ' ' ASN . 3.3 t0 48.61 95.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.532 ' C ' ' CE2' ' A' ' 37' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 11' ' ' GLN . 1.1 pp -69.7 -25.09 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.95 -56.1 20.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -42.22 95.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.6 mt -69.96 -23.08 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.335 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 7' ' ' ILE . 23.7 tt0 -84.44 -56.91 3.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.118 . . . . 0.0 110.254 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -29.37 66.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.5 t -81.92 -20.96 37.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.036 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.68 -28.84 24.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -69.63 -33.5 72.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.22 -44.49 19.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -27.63 64.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 t -60.69 -52.37 65.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.546 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -54.73 -27.0 37.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.2 t -80.76 -46.8 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.393 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.66 -27.26 68.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 109.26 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -74.1 -32.53 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.422 1.076 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.471 ' HB2' ' CD ' ' A' ' 53' ' ' ARG . 59.9 p -72.48 -34.55 67.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.991 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -51.98 -25.27 7.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -77.15 -27.06 53.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.35 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.799 HD22 ' HB2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -74.17 -48.68 27.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.5 p -59.76 -22.55 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.81 -24.88 26.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -74.38 -24.13 59.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -55.25 -31.28 61.41 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.579 1.174 . . . . 0.0 111.02 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.62 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 12.9 t -67.62 -42.2 82.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.522 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.2 t30 -83.09 -26.72 30.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.412 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 3.9 m -80.06 -27.6 39.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.026 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' CA ' ' HB3' ' A' ' 46' ' ' ASN . . . -50.97 -20.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 39' ' ' ASN . 4.1 mt -37.64 -65.57 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.597 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -115.63 64.61 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 43' ' ' GLY . 26.1 m-70 37.46 34.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.67 HG12 HG23 ' A' ' 49' ' ' ILE . 15.1 t -90.81 -23.9 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.601 ' ND2' ' H ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -55.51 -41.74 73.51 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.601 ' H ' ' ND2' ' A' ' 46' ' ' ASN . 12.4 p -74.78 -22.25 58.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 108.23 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.2 m -83.1 -30.11 28.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 110.446 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.876 HD12 ' N ' ' A' ' 50' ' ' LYS . 2.0 pp -92.57 -49.11 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.876 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.0 tptp -41.59 -64.52 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.511 ' HB2' HD22 ' A' ' 55' ' ' LEU . 8.8 pt-20 -56.87 -27.46 60.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -65.15 -19.39 65.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.799 ' HB2' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -90.97 -69.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 6.3 tpm_? -92.27 -43.54 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.751 HD13 ' O ' ' A' ' 55' ' ' LEU . 1.4 tm? 83.72 39.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -155.34 -43.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.752 HD13 ' CE ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -54.35 -39.95 67.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.7 t 39.45 89.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.437 ' HA ' ' OD1' ' A' ' 46' ' ' ASN . 1.6 t70 68.03 106.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.568 ' C ' ' CE2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 7' ' ' ILE . 7.3 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.436 ' N ' HG13 ' A' ' 6' ' ' VAL . 5.6 mt -72.62 -25.18 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.13 -43.29 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.49 -47.71 66.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.256 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mm -54.49 -25.65 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -77.07 -17.47 58.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -81.55 -41.06 22.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.075 . . . . 0.0 109.353 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 t -81.18 -22.89 38.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -83.8 -33.17 25.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.08 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -72.07 -28.27 63.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.85 -55.49 4.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.11 -27.72 62.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -57.17 -56.17 25.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.581 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.7 mt-10 -54.03 -25.04 19.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t -81.37 -48.93 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.53 -22.84 66.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -68.28 -30.71 48.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 p -65.76 -28.59 69.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.947 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.658 ' O ' HG12 ' A' ' 34' ' ' VAL . 11.8 tp10 -59.3 -26.13 64.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -83.18 -30.43 27.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.472 ' CD1' ' HB ' ' A' ' 49' ' ' ILE . 0.7 OUTLIER -51.29 -48.44 62.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 31' ' ' GLU . 11.7 p -59.69 -27.74 38.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -80.63 -16.98 52.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 4.4 tttt -80.7 -23.59 39.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.655 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -54.14 -42.5 69.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 37' ' ' TYR . 23.4 t -56.42 -41.06 75.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.954 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.679 ' O ' HD23 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -82.64 -56.36 3.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.078 . . . . 0.0 109.268 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.453 ' CB ' ' HB ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -52.45 -33.41 44.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.01 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -50.69 -22.38 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 39' ' ' ASN . 4.1 pp -45.63 -26.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -149.39 60.55 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER 36.36 34.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.598 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 43' ' ' GLY . 9.1 t -87.49 -23.59 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 5.7 p-10 -55.07 -50.37 69.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.678 ' HB2' HG13 ' A' ' 58' ' ' VAL . 6.9 p -67.76 -20.54 65.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 108.294 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 m -77.82 -29.94 50.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.472 ' HB ' ' CD1' ' A' ' 33' ' ' LEU . 27.6 pt -91.35 -43.48 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.554 ' NZ ' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -59.84 -58.56 8.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.603 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -39.12 -29.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -94.83 -65.01 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -43.63 -70.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.42 ' HD2' ' NH2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -87.42 -55.17 3.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.603 HD12 ' O ' ' A' ' 51' ' ' GLU . 0.5 OUTLIER 80.48 30.76 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.222 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.69 -44.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.103 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -47.51 74.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.678 HG13 ' HB2' ' A' ' 47' ' ' CYS . 69.7 t 46.54 91.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.453 ' CB ' ' ND2' ' A' ' 46' ' ' ASN . 1.1 t0 61.8 100.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.551 ' C ' ' CZ ' ' A' ' 37' ' ' TYR . 44.6 t0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.3 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.11 -25.16 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -62.45 -51.28 68.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.22 -47.2 52.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.6 mm -54.83 -23.28 11.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -90.64 -49.33 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.185 . . . . 0.0 110.311 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.21 -31.57 71.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.4 m -79.77 -23.73 42.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.969 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -77.07 -31.3 55.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.232 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -55.22 -26.48 39.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.74 -56.77 3.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -62.17 -27.58 69.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 m -69.97 -34.38 73.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.858 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.4 tt0 -64.55 -24.2 67.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.5 t -80.9 -56.15 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 31' ' ' GLU . . . -51.9 -40.11 60.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.858 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -51.22 -25.78 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.423 ' HB2' ' NH2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -71.08 -29.6 65.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.038 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.471 ' O ' HG12 ' A' ' 34' ' ' VAL . 35.5 tt0 -56.84 -25.09 55.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 35' ' ' GLN . 3.9 tt0 -79.82 -33.72 40.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.492 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -48.98 -48.03 43.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.223 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.556 HG23 ' HE2' ' A' ' 50' ' ' LYS . 6.3 p -65.99 -25.9 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' GLU . 25.8 mt-30 -81.09 -21.63 39.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -74.94 -25.99 59.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.644 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -59.15 -24.43 63.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -47.91 53.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.989 ' O ' HD23 ' A' ' 42' ' ' LEU . 8.0 m120 -82.07 -26.17 33.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.654 ' OG ' HG21 ' A' ' 49' ' ' ILE . 17.9 m -79.68 -26.59 40.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -68.47 -6.47 25.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.989 HD23 ' O ' ' A' ' 39' ' ' ASN . 4.3 pp -38.2 -55.3 1.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.742 ' N ' HD12 ' A' ' 42' ' ' LEU . . . -114.26 -52.76 0.44 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.411 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.1 OUTLIER 168.34 41.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 0.721 . . . . 0.0 109.581 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.726 HG12 HG23 ' A' ' 49' ' ' ILE . 13.0 t -100.31 -24.83 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.605 ' OD1' ' CD2' ' A' ' 37' ' ' TYR . 1.1 p30 -55.73 -23.61 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.5 p -82.02 -29.68 31.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.338 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.5 m -85.5 -32.0 22.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.726 HG23 HG12 ' A' ' 45' ' ' VAL . 1.2 pp -79.81 -37.89 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.932 ' HD2' HD22 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -56.53 -59.55 4.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.499 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -58.41 -23.38 57.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 49' ' ' ILE . 4.2 tp -43.01 -65.2 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.566 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -92.4 -68.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.667 ' HD3' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -46.79 -46.38 20.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 110.366 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER 62.19 14.05 6.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -143.12 -42.8 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.96 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.932 HD22 ' HD2' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -39.35 -48.76 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.405 ' C ' ' OD1' ' A' ' 59' ' ' ASP . 76.1 t 47.87 86.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER 44.94 92.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.584 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 54.7 t0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.43 ' CG1' HD12 ' A' ' 7' ' ' ILE . 8.3 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.43 HD12 ' CG1' ' A' ' 6' ' ' VAL . 1.5 mp -77.29 -25.1 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.372 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -67.67 -45.59 74.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.87 -48.45 63.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.1 mt -50.97 -23.37 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 15' ' ' GLU . 21.5 tt0 -87.75 -43.91 11.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -56.47 -34.86 67.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 t -80.1 -25.15 40.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.976 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -83.25 -26.32 30.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' GLN . 8.5 mt-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.239 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.09 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ALA . 14.7 tp -80.58 -56.07 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -58.77 -27.62 65.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' ILE . 30.2 t -65.13 -51.11 63.18 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.465 1.103 . . . . 0.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.453 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.2 tp10 -52.32 -26.28 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.402 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.1 t -81.39 -46.57 20.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.147 . . . . 0.0 109.339 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.11 -22.33 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -79.8 -30.28 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 9.2 m -63.12 -28.4 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 110.041 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.529 ' O ' HG12 ' A' ' 34' ' ' VAL . 5.4 mt-10 -61.35 -28.49 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -83.44 -25.72 30.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 29' ' ' ILE . 1.2 mm? -59.63 -47.57 85.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.624 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 8.4 p -64.03 -17.7 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? -87.07 -35.51 18.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -23.63 62.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -54.64 -23.94 19.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.609 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -78.96 -49.07 13.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.96 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -72.58 -53.0 13.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.2 p -50.93 -38.48 50.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.957 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -50.4 -22.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.617 1.198 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.53 HD12 ' C ' ' A' ' 42' ' ' LEU . 3.2 pp -47.73 -24.8 1.03 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.573 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -150.34 54.1 0.49 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.4 OUTLIER 39.03 30.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.592 0.819 . . . . 0.0 109.653 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 43' ' ' GLY . 94.6 t -82.41 -26.18 8.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 59' ' ' ASP . 15.8 p-10 -56.92 -39.52 74.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.425 1.078 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 46.4 t -62.96 -18.62 63.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 108.233 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.2 m -85.08 -46.33 11.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.72 HD12 ' HD2' ' A' ' 50' ' ' LYS . 2.3 pp -78.5 -42.64 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.914 ' HE2' HD22 ' A' ' 57' ' ' LEU . 24.4 mmmt -61.97 -55.37 30.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.722 ' HB2' HG12 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -56.13 -16.01 4.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.8 -64.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.499 ' NH2' ' NH2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -66.31 -69.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.69 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -66.1 -49.04 68.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER 65.48 11.82 7.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -138.38 -39.05 0.53 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 111.02 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.914 HD22 ' HE2' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -63.75 -50.1 70.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.722 HG12 ' HB2' ' A' ' 51' ' ' GLU . 9.0 m 43.43 92.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.465 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 5.6 p-10 44.91 91.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.0 t0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.953 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 mp -70.95 -25.47 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.49 -45.65 65.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.56 -45.83 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.3 mm -63.73 -24.71 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -71.81 -47.5 52.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -50.93 -38.87 52.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -81.61 -23.99 36.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.404 1.065 . . . . 0.0 110.049 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -79.18 -28.86 42.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -78.17 -25.88 47.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.057 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.658 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -80.68 -56.79 3.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.18 -27.7 67.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -65.71 -55.51 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.435 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -60.14 -21.38 61.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 23' ' ' LEU . 87.0 t -81.3 -41.02 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.33 -24.55 50.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -73.18 -30.53 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.374 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.6 m -76.75 -33.17 58.12 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.783 ' O ' HG12 ' A' ' 34' ' ' VAL . 36.6 tt0 -52.21 -25.84 10.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.346 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -81.83 -25.68 34.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.527 HD22 ' HB2' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -66.4 -43.39 85.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.783 HG12 ' O ' ' A' ' 31' ' ' GLU . 9.1 p -59.61 -24.13 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -86.56 -30.37 21.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -28.58 68.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.597 ' CD2' ' OD1' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -55.95 -28.41 56.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 111.012 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 40.3 t -68.61 -44.37 74.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -81.91 -27.99 33.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.429 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 4.1 m -79.83 -27.05 40.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -51.33 -21.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 41' ' ' ALA . 1.0 OUTLIER -38.5 -87.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -68.69 -64.41 3.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.509 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.5 OUTLIER 161.09 44.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.454 0.738 . . . . 0.0 109.59 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.555 HG12 HG23 ' A' ' 49' ' ' ILE . 1.9 t -100.03 -24.9 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.597 ' OD1' ' CD2' ' A' ' 37' ' ' TYR . 1.3 p30 -55.48 -22.61 21.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.2 p -89.28 -25.75 21.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 108.331 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 91.1 m -84.62 -37.2 21.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.555 HG23 HG12 ' A' ' 45' ' ' VAL . 1.1 pt -76.81 -13.61 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.543 ' CE ' ' HA ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -80.46 -62.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.235 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -54.91 -17.0 3.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.23 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.8 -35.25 15.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.527 ' HB2' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -90.57 -71.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.248 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.594 ' HD3' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -70.91 -48.15 55.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER 87.44 7.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.41 -43.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.594 HD13 ' HD3' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -39.51 -44.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' LEU . 60.6 t 38.34 85.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER 61.16 92.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.58 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 mp -69.26 -25.11 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -52.05 62.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.52 -53.14 56.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mm -53.92 -23.84 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.72 -29.26 65.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -72.31 -36.91 69.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.4 m -82.94 -23.93 33.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -83.55 -25.83 30.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -59.01 -25.83 64.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.76 -55.15 5.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -62.72 -27.56 69.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.404 1.065 . . . . 0.0 110.246 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 1.2 m -54.81 -50.28 68.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.612 1.195 . . . . 0.0 109.918 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.636 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.1 mt-10 -55.13 -27.08 42.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.23 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.32 -48.38 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.31 -22.66 67.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -68.37 -31.04 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.45 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 1.1 m -72.2 -26.94 62.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' HG12 ' A' ' 34' ' ' VAL . 8.3 tp10 -60.92 -26.64 67.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.304 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -83.39 -31.38 26.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -50.97 -47.16 61.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.651 HG23 ' HZ1' ' A' ' 50' ' ' LYS . 3.5 p -62.43 -24.32 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.402 1.064 . . . . 0.0 109.375 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.11 -19.16 51.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -80.18 -25.61 39.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.645 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -55.97 -23.94 35.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 111.04 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -78.77 -39.21 36.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.607 ' O ' HD12 ' A' ' 42' ' ' LEU . 3.5 t-20 -82.3 -31.87 29.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.513 ' OG ' ' CG1' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -79.95 -26.21 40.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -47.82 -22.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.346 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 39' ' ' ASN . 1.3 mt -75.14 55.32 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 109.286 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.923 ' O ' HG23 ' A' ' 45' ' ' VAL . . . 118.64 66.44 0.31 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.466 ' O ' ' O ' ' A' ' 40' ' ' SER . 21.7 m170 50.81 -134.18 1.62 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 0.746 . . . . 0.0 109.573 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.923 HG23 ' O ' ' A' ' 43' ' ' GLY . 5.2 t 70.46 -56.08 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.542 ' CB ' ' HA ' ' A' ' 37' ' ' TYR . 6.8 p30 -54.7 -20.11 7.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.577 1.173 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.464 ' HA ' ' N ' ' A' ' 59' ' ' ASP . 13.2 p -90.22 -26.78 19.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.238 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 45' ' ' VAL . 80.7 m -84.92 -44.69 12.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.519 HD12 ' N ' ' A' ' 50' ' ' LYS . 2.4 pp -61.9 -50.7 79.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.776 ' HE3' HD22 ' A' ' 57' ' ' LEU . 11.7 mttp -52.25 -54.79 26.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.988 ' O ' HD23 ' A' ' 55' ' ' LEU . 31.5 tt0 -58.67 -16.67 17.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.86 -36.49 12.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' CG ' ' HB3' ' A' ' 30' ' ' SER . 0.0 OUTLIER -89.85 -68.43 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.18 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' LYS . 6.8 tpt180 -72.23 -42.23 65.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.988 HD23 ' O ' ' A' ' 51' ' ' GLU . 2.2 mt 73.11 10.97 5.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -144.73 -43.89 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.776 HD22 ' HE3' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -49.24 -47.14 46.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.562 HG22 ' HB2' ' A' ' 51' ' ' GLU . 74.8 t 37.91 84.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.464 ' N ' ' HA ' ' A' ' 47' ' ' CYS . 7.7 t0 74.59 -56.32 0.64 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.761 ' C ' HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.551 HD13 ' H ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -81.51 -25.09 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.9 -42.24 58.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.13 -52.03 15.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.8 mt -53.41 -23.2 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.252 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 15' ' ' GLU . 2.3 mm-40 -77.07 -44.56 30.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -48.4 70.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.7 t -63.47 -27.44 69.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.594 1.184 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -85.8 -32.89 21.54 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.4 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -39.66 -28.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.6 mm? -80.72 -56.88 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -27.65 66.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.3 t -64.74 -50.74 65.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -22.2 63.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.0 t -81.34 -47.58 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.14 84.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -29.86 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 m -78.18 -35.9 48.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.566 ' O ' HG12 ' A' ' 34' ' ' VAL . 28.7 tt0 -52.02 -25.31 8.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.97 -27.36 33.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.32 -48.51 79.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 31' ' ' GLU . 11.5 p -60.08 -27.95 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.21 -30.62 34.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -23.4 64.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -54.62 -43.69 72.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.637 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -53.79 -40.45 66.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -83.35 -38.61 21.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.2 m -64.26 -33.45 75.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.547 ' HB2' ' ND2' ' A' ' 46' ' ' ASN . . . -50.69 -22.4 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.182 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.685 HD12 ' C ' ' A' ' 42' ' ' LEU . 1.2 pp -45.01 -26.71 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.599 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -152.64 56.46 0.44 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' GLY . 7.1 p80 38.14 31.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.602 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 43' ' ' GLY . 99.0 t -83.43 -25.09 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.547 ' ND2' ' HB2' ' A' ' 41' ' ' ALA . 5.4 p30 -56.44 -19.05 13.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 58' ' ' VAL . 12.1 t -88.45 -26.5 22.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 108.349 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.1 m -84.99 -20.8 29.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.925 HD12 ' N ' ' A' ' 50' ' ' LYS . 1.9 pp -87.05 -48.57 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.925 ' N ' HD12 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -63.26 -27.2 69.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.706 ' O ' HD12 ' A' ' 55' ' ' LEU . 31.0 tt0 -39.34 -38.7 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -94.68 -64.45 1.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.868 HH22 HD22 ' A' ' 57' ' ' LEU . 4.9 tmm_? -36.13 -72.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.365 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.428 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -95.97 -56.15 2.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.354 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 51' ' ' GLU . 1.4 tt 82.57 21.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.45 ' C ' ' N ' ' A' ' 58' ' ' VAL . 0.5 OUTLIER -150.64 -44.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.868 HD22 HH22 ' A' ' 53' ' ' ARG . 0.2 OUTLIER -38.23 -32.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.711 ' O ' HG12 ' A' ' 58' ' ' VAL . 14.6 t 39.33 71.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.44 ' OD1' ' ND2' ' A' ' 46' ' ' ASN . 11.2 t0 70.29 -58.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' VAL . 9.5 t70 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.5 t . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.3 mm -65.01 -25.04 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -74.15 -49.9 21.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.26 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.9 65.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.0 mm -55.64 -23.33 14.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.243 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -65.21 -45.54 84.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -82.5 -55.31 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -47.5 -24.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.973 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -65.91 -38.31 88.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' LYS . 39.3 mt-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -69.64 -36.56 76.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.75 -43.06 20.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.213 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -28.26 69.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.9 p -66.42 -39.14 88.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.949 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -52.1 -22.25 3.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 31' ' ' GLU . 54.2 t -81.16 -54.98 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.72 -29.29 70.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 mp -76.76 -55.65 10.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 29.3 m -64.69 -26.63 68.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.541 ' O ' HG22 ' A' ' 34' ' ' VAL . 33.3 tt0 -61.62 -25.15 67.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -83.02 -23.61 33.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.64 ' CD1' HD13 ' A' ' 49' ' ' ILE . 3.8 mm? -64.11 -48.72 75.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.57 HG13 ' HE ' ' A' ' 53' ' ' ARG . 8.7 m -60.81 -19.45 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.415 1.072 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -79.85 -16.56 55.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.6 OUTLIER -80.33 -27.77 38.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 1.023 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.8 OUTLIER -54.74 -21.36 10.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 111.046 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.49 -50.31 10.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 110.003 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -83.15 -59.58 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 36' ' ' LYS . 41.9 t -48.51 -26.36 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.032 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 1.023 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -49.0 -88.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' ALA . 15.8 mt 36.23 35.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ALA . . . 137.7 -80.95 0.28 Allowed Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.412 ' HB3' ' O ' ' A' ' 43' ' ' GLY . 0.6 OUTLIER -178.26 48.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 0.818 . . . . 0.0 109.585 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 41' ' ' ALA . 1.3 t -92.66 -41.7 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.389 1.055 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.607 ' CB ' ' HA ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -58.54 -29.44 66.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.468 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 7.9 p -51.49 -25.12 5.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 108.31 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.8 m -85.03 -28.24 25.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.884 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -90.88 -14.03 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.49 ' HZ1' HG12 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -78.13 -58.46 3.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -56.75 -17.07 7.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.32 -36.04 16.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.57 ' HE ' HG13 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -90.66 -68.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.8 tpt85 -71.4 -51.68 22.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.242 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER 87.54 6.73 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -145.78 -44.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.579 HD13 ' C ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -43.82 -48.72 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.401 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 83.9 t 39.94 76.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.234 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.438 ' HB2' ' CB ' ' A' ' 47' ' ' CYS . 11.2 t0 75.07 -57.62 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.579 ' C ' HD13 ' A' ' 57' ' ' LEU . 8.3 t0 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.659 ' O ' HG23 ' A' ' 10' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.435 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 1.1 pt -70.15 -25.04 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.91 -36.36 12.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.96 -54.9 8.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 6' ' ' VAL . 1.2 pp -64.07 -23.38 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -56.07 -50.58 70.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 110.312 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -82.47 -53.22 6.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.373 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 m -46.3 -25.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.026 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -63.54 -40.38 96.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' LYS . 29.9 mt-10 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -44.08 -25.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.62 -55.52 4.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -62.14 -27.61 69.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -60.13 -48.74 80.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.571 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.1 mt-10 -57.03 -24.24 52.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.7 t -81.24 -42.63 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.29 -22.32 59.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.571 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -65.1 -30.17 49.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -64.18 -31.14 72.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.922 ' O ' HG12 ' A' ' 34' ' ' VAL . 3.4 pt-20 -56.37 -25.63 50.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.262 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -82.04 -23.04 36.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.175 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.472 ' CB ' ' HG3' ' A' ' 53' ' ' ARG . 4.0 mm? -75.51 -34.17 60.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.922 HG12 ' O ' ' A' ' 31' ' ' GLU . 7.4 p -61.33 -24.05 32.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.224 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -86.94 -13.75 43.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.256 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -26.09 38.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.646 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -56.2 -34.05 65.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.951 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.646 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -66.95 -37.49 84.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.967 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -83.43 -55.96 4.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.45 ' CB ' HG21 ' A' ' 49' ' ' ILE . 9.3 m -45.65 -27.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.499 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -49.07 -93.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.499 ' C ' ' O ' ' A' ' 41' ' ' ALA . 0.2 OUTLIER 32.74 42.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . 151.21 -79.67 0.2 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 0.5 OUTLIER 177.15 51.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.564 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 48' ' ' THR . 1.0 OUTLIER -110.24 -24.22 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.515 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 8.9 p30 -54.03 -31.63 51.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.471 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 12.8 p -77.56 -23.96 49.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 108.252 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' VAL . 23.6 m -86.81 -40.18 15.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.376 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.536 HD11 ' CB ' ' A' ' 37' ' ' TYR . 1.9 pp -71.28 -40.91 74.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.525 ' HZ2' HG23 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -50.59 -58.16 6.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -19.11 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.48 -32.32 13.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.472 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -73.81 -68.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 0.0 110.352 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.53 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 7.6 tpm_? -94.3 -45.96 7.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.53 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER 90.13 24.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -160.74 -42.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.508 ' CD2' ' C ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -45.68 -61.06 1.86 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 59' ' ' ASP . 68.5 t 64.03 105.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.456 ' CB ' ' OD1' ' A' ' 46' ' ' ASN . 26.8 t0 40.84 91.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.415 1.072 . . . . 0.0 109.277 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.579 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.38 1.05 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 pt -58.01 -25.12 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -61.61 -55.49 30.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.83 -50.2 65.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.3 mt -50.68 -23.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 15' ' ' GLU . 2.1 tt0 -70.21 -35.36 73.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -61.31 -37.72 84.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.91 -23.32 39.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.023 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -85.47 -24.99 27.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.8 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -78.4 -27.27 46.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.65 -55.8 4.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.73 -27.47 63.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -60.54 -55.48 32.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -53.32 -25.48 15.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.408 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 41.6 t -81.42 -48.59 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.65 -23.14 66.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.29 -30.05 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 3.8 m -64.33 -26.15 68.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.032 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.408 ' OE2' ' O ' ' A' ' 27' ' ' VAL . 5.7 mm-40 -64.91 -25.22 67.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 36' ' ' LYS . 4.6 mt-10 -84.58 -23.24 29.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 30' ' ' SER . 2.4 mm? -59.23 -49.36 78.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.959 HG23 ' NZ ' ' A' ' 50' ' ' LYS . 9.8 p -68.49 -28.1 39.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -82.58 -18.39 41.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 110.278 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -76.7 -25.64 53.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.598 ' CD2' ' OD1' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -55.59 -29.93 59.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.073 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.412 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -70.1 -42.17 73.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.436 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -82.65 -25.56 32.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.157 . . . . 0.0 109.275 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.862 ' OG ' HG21 ' A' ' 49' ' ' ILE . 28.9 m -79.91 -27.69 39.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.456 ' CA ' ' HB3' ' A' ' 46' ' ' ASN . . . -51.04 -21.77 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -39.53 -66.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.494 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -112.37 63.45 0.28 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER 37.59 31.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.616 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.629 HG12 HG23 ' A' ' 49' ' ' ILE . 7.5 t -85.83 -25.71 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.598 ' OD1' ' CD2' ' A' ' 37' ' ' TYR . 1.0 OUTLIER -56.73 -18.22 11.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 59' ' ' ASP . 7.3 p -88.26 -27.64 21.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 108.318 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 55.3 m -84.65 -42.51 15.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.396 1.06 . . . . 0.0 110.416 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.862 HG21 ' OG ' ' A' ' 40' ' ' SER . 1.6 pp -62.25 -39.96 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.959 ' NZ ' HG23 ' A' ' 34' ' ' VAL . 2.5 tptp -60.23 -62.9 1.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -17.47 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -64.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.093 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.593 ' CZ ' ' CZ ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -85.02 -67.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.257 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.593 ' CZ ' ' CZ ' ' A' ' 53' ' ' ARG . 26.2 mmt180 -50.29 -51.54 44.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 62.66 13.41 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.404 ' O ' HG12 ' A' ' 58' ' ' VAL . 28.4 m-85 -145.04 -37.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.757 HD23 ' O ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -63.02 -46.45 87.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.474 HG12 ' C ' ' A' ' 57' ' ' LEU . 3.5 p 43.98 95.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.479 ' HB2' ' CB ' ' A' ' 47' ' ' CYS . 0.6 OUTLIER 43.12 93.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.757 ' O ' HD23 ' A' ' 57' ' ' LEU . 7.7 t0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.507 HG12 ' CD1' ' A' ' 10' ' ' ILE . 63.1 t . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.9 pt -62.9 -25.1 37.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -54.81 19.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.23 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -45.63 92.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.507 ' CD1' HG12 ' A' ' 6' ' ' VAL . 60.1 mt -54.13 -35.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' GLU . 2.1 mt-30 -60.09 -35.05 74.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.448 1.093 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -43.36 99.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -21.18 46.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.54 -25.37 26.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -49.6 -28.74 6.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -80.96 -56.59 4.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.61 1.193 . . . . 0.0 109.242 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -59.29 -27.58 65.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 29' ' ' ILE . 15.9 m -68.73 -56.15 9.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.599 1.187 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.2 -22.44 65.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 23' ' ' LEU . 52.2 t -79.28 -45.97 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.45 -19.9 55.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 25' ' ' SER . 6.6 mm -78.78 -23.97 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.0 p -68.83 -27.58 65.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.94 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.626 ' O ' HG12 ' A' ' 34' ' ' VAL . 12.5 mm-40 -60.65 -32.55 71.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -82.54 -23.43 34.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.461 ' CB ' ' HG3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -57.19 -45.76 83.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.679 HG23 ' NZ ' ' A' ' 50' ' ' LYS . 4.3 p -60.68 -27.31 40.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.33 -19.19 30.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.36 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -23.87 50.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.658 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -54.77 -42.68 72.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.658 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -55.52 -42.02 73.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.075 179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.84 -56.04 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.577 ' HB3' HG21 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -45.31 -28.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.509 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -49.27 -94.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.509 ' C ' ' O ' ' A' ' 41' ' ' ALA . 1.8 mt 31.39 61.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.61 -87.2 0.4 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.432 1.083 . . . . 0.0 111.052 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.569 ' CE1' ' SG ' ' A' ' 47' ' ' CYS . 6.4 t60 -169.28 96.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.78 . . . . 0.0 109.644 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.014 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -155.93 -39.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.487 ' HB3' ' O ' ' A' ' 37' ' ' TYR . 7.4 p30 -53.82 -20.03 5.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.569 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 10.7 p -80.58 -34.69 35.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 52.8 m -85.16 -31.51 23.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.014 HG23 ' O ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -66.31 -40.65 87.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.679 ' NZ ' HG23 ' A' ' 34' ' ' VAL . 3.7 mttm -70.47 -37.32 74.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.463 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.3 tt0 -58.62 -20.33 46.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.371 1.044 . . . . 0.0 110.27 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.81 -55.68 2.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.168 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.461 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -59.12 -69.58 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -81.76 -55.18 4.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.574 1.171 . . . . 0.0 110.363 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER 88.25 22.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.54 ' O ' HG12 ' A' ' 58' ' ' VAL . 10.0 m-85 -155.72 -42.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -46.07 -29.22 1.42 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.546 ' O ' HG13 ' A' ' 58' ' ' VAL . 13.1 p 33.69 67.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.468 ' CB ' ' OD1' ' A' ' 46' ' ' ASN . 0.0 OUTLIER 63.6 107.96 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.576 ' HA ' HD12 ' A' ' 57' ' ' LEU . 12.4 t70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.904 ' O ' HG23 ' A' ' 10' ' ' ILE . 14.9 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.553 ' N ' HG13 ' A' ' 6' ' ' VAL . 2.0 pt -51.98 -26.09 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -97.29 -44.99 6.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.68 -34.46 74.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.904 HG23 ' O ' ' A' ' 6' ' ' VAL . 4.0 pt -79.09 -23.33 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 14' ' ' ASP . 4.0 mm100 -68.6 -49.37 59.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -47.06 -49.36 21.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.605 1.19 . . . . 0.0 109.356 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.84 -28.77 62.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.051 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.9 m-20 -85.75 -26.66 25.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.264 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -37.76 -33.54 0.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.509 1.13 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -80.92 -56.76 3.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.12 -27.41 45.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -76.41 -55.88 5.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.32 -24.36 66.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 23' ' ' LEU . 40.7 t -73.92 -57.7 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 109.243 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.71 -24.48 57.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 29' ' ' ILE . 19.7 mm -82.59 -24.12 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.422 ' HB2' ' NE ' ' A' ' 53' ' ' ARG . 15.9 p -73.1 -33.86 65.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.022 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.498 ' OE2' ' CG2' ' A' ' 34' ' ' VAL . 8.4 tp10 -51.9 -25.14 7.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -76.44 -30.91 57.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -65.28 -49.24 70.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.596 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 16.2 m -63.91 -23.37 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -87.21 -37.1 17.57 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -67.52 -24.62 65.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.988 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -55.46 -24.82 33.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.988 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.62 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 44.1 t -79.48 -38.53 34.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.943 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.57 -57.72 3.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' LYS . 9.9 p -54.31 -27.53 36.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.151 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.988 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -47.92 -91.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 73.37 -56.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.463 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -171.91 65.78 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.716 ' O ' HG23 ' A' ' 45' ' ' VAL . 1.6 t-80 84.56 91.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 109.595 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 44' ' ' HIS . 29.5 t -160.73 -42.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.252 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.485 ' CB ' ' HB2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -54.08 -33.68 58.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.351 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.8 p -63.66 -24.69 67.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 108.272 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.1 m -85.37 -45.76 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.392 1.058 . . . . 0.0 110.405 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 33' ' ' LEU . 1.5 pp -71.26 -37.47 66.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.558 ' HE3' ' CD2' ' A' ' 37' ' ' TYR . 7.8 mttt -64.91 -59.07 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' O ' HD23 ' A' ' 55' ' ' LEU . 8.3 pt-20 -55.48 -17.2 4.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -52.16 16.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.505 ' HD3' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -90.85 -69.17 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.733 ' HG2' HD23 ' A' ' 57' ' ' LEU . 3.1 tpt180 -55.72 -52.96 62.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.418 ' CD1' ' O ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER 79.06 4.41 2.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -140.14 -43.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.733 HD23 ' HG2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -40.0 -61.05 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 58' ' ' VAL . 54.8 t 53.14 77.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 10.6 t0 60.27 100.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.473 ' HB3' ' CD1' ' A' ' 57' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 pt -74.48 -25.14 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.25 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -32.93 74.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.05 -46.39 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.8 mt -51.84 -44.47 37.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.23 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -63.56 -26.32 68.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' GLU . 12.8 mttt -82.38 -64.28 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.9 m -46.11 -25.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.968 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -63.2 -40.71 98.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 12' ' ' LYS . 3.5 mt-10 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.191 . . . . 0.0 110.258 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -73.46 -29.69 62.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.61 -54.48 5.62 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -27.52 62.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.343 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -62.26 -50.87 70.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.452 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.9 tm-20 -56.23 -23.74 37.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.078 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.9 t -81.25 -40.9 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.73 -24.04 59.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.488 HD13 ' HG2' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -76.57 -30.53 19.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m -66.0 -34.91 79.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.002 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.581 ' O ' HG12 ' A' ' 34' ' ' VAL . 20.6 tp10 -53.11 -25.45 13.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' HG2' HD13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -80.36 -25.6 39.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.438 ' CB ' ' HG3' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -63.17 -48.08 79.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 31' ' ' GLU . 9.3 p -60.32 -21.24 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -80.04 -39.72 29.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.361 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -61.73 -23.78 66.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.618 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -55.17 -36.35 65.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.618 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 36.3 t -61.28 -43.6 98.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.915 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.7 t30 -83.3 -23.93 32.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.366 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' LYS . 10.8 m -80.0 -30.3 39.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -51.46 -20.48 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.915 HD12 ' O ' ' A' ' 39' ' ' ASN . 0.7 OUTLIER -37.65 -58.19 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.635 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -129.81 66.78 0.57 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.107 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 44' ' ' HIS . 5.8 t-160 34.46 58.08 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.573 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.831 HG12 HG23 ' A' ' 49' ' ' ILE . 63.7 t -111.11 -24.24 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.512 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 1.5 p30 -55.45 -23.47 25.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.458 ' HB3' ' CD2' ' A' ' 44' ' ' HIS . 10.7 t -87.86 -27.73 22.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 108.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.523 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 17.2 m -84.68 -18.92 33.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.831 HG23 HG12 ' A' ' 45' ' ' VAL . 2.0 pp -94.04 -45.33 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.711 ' N ' HD12 ' A' ' 49' ' ' ILE . 0.7 OUTLIER -66.66 -30.79 71.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.696 ' O ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -44.56 -28.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.457 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -95.56 -29.74 14.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -73.96 -72.15 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.609 1.193 . . . . 0.0 110.331 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.55 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -96.04 -55.83 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER 91.33 25.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.691 ' N ' ' HZ2' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -153.42 -37.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -38.82 -29.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 0.0 109.335 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.527 ' O ' HG13 ' A' ' 58' ' ' VAL . 15.0 p 36.16 63.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 58' ' ' VAL . 5.8 t70 80.09 -54.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.511 ' HA ' HD12 ' A' ' 57' ' ' LEU . 15.1 t70 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.59 HG13 HD12 ' A' ' 7' ' ' ILE . 7.6 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.59 HD12 HG13 ' A' ' 6' ' ' VAL . 2.7 mp -85.12 -25.19 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.73 -56.29 16.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.88 79.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.261 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.574 HG23 ' OE1' ' A' ' 24' ' ' GLU . 97.4 mt -55.47 -24.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -77.31 -28.41 53.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -31.04 49.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 p -81.37 -24.23 37.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.031 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.27 -26.04 33.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.212 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -39.92 -28.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.172 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -79.9 -50.2 10.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.619 1.199 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.574 ' OE1' HG23 ' A' ' 10' ' ' ILE . 6.6 tt0 -67.87 -27.51 66.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.262 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 t -62.74 -56.14 20.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.046 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -52.95 -22.53 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.4 t -81.35 -53.34 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.07 -32.83 74.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.685 HD13 ' CD ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -68.68 -30.96 48.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.379 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 65.9 m -68.31 -34.71 76.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.03 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.422 ' O ' HG12 ' A' ' 34' ' ' VAL . 9.1 tp10 -52.77 -24.2 8.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.234 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.685 ' CD ' HD13 ' A' ' 29' ' ' ILE . 2.2 pt-20 -81.09 -24.09 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.857 HD13 ' HG3' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -69.52 -49.17 57.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.463 ' HA ' ' CD ' ' A' ' 50' ' ' LYS . 9.9 p -62.57 -18.62 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.67 -19.04 36.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -80.27 -25.29 39.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -55.58 -23.4 26.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 111.039 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.14 -42.22 26.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.604 1.19 . . . . 0.0 110.029 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.592 ' O ' HD23 ' A' ' 42' ' ' LEU . 2.3 t30 -83.34 -56.65 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 36' ' ' LYS . 5.1 t -45.66 -27.0 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.03 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.468 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -48.1 -92.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.831 ' O ' HD12 ' A' ' 42' ' ' LEU . 3.5 pp 34.17 39.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 109.319 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ALA . . . 142.97 -82.46 0.22 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.407 ' HB3' ' O ' ' A' ' 43' ' ' GLY . 0.5 OUTLIER -178.91 56.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.578 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.429 ' HB ' ' O ' ' A' ' 40' ' ' SER . 0.9 OUTLIER -111.09 -26.44 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.117 . . . . 0.0 109.217 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.543 ' CB ' ' HA ' ' A' ' 37' ' ' TYR . 7.5 p-10 -56.02 -33.02 64.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 6.8 p -70.95 -20.53 62.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.3 m -82.84 -31.83 27.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 110.369 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.891 HD12 ' N ' ' A' ' 50' ' ' LYS . 1.9 pp -92.42 -49.03 13.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.891 ' N ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -56.43 -44.88 80.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.564 ' O ' HD22 ' A' ' 55' ' ' LEU . 32.8 tt0 -67.01 -15.4 63.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 110.364 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.83 -29.74 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.857 ' HG3' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -91.28 -68.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.477 ' N ' ' HD3' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -67.1 -50.13 62.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.564 HD22 ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER 83.35 0.83 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.405 ' O ' HG23 ' A' ' 58' ' ' VAL . 3.3 t80 -135.57 -41.81 0.7 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -45.7 -37.08 5.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' LEU . 95.6 t 38.91 72.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.525 ' CG ' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER 74.62 -54.97 0.66 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.605 ' O ' HD13 ' A' ' 57' ' ' LEU . 58.9 t0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.411 HG22 ' CD1' ' A' ' 10' ' ' ILE . 9.3 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.5 mt -66.94 -25.1 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -52.49 28.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.27 79.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.239 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.411 ' CD1' HG22 ' A' ' 6' ' ' VAL . 89.4 mt -51.51 -23.29 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -82.43 -41.62 19.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.267 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -38.2 87.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.1 m -78.91 -22.74 45.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.17 . . . . 0.0 110.053 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -83.2 -28.68 29.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -46.1 -30.77 2.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 23' ' ' LEU . 11.4 tp -80.85 -52.39 7.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -27.53 62.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -59.29 -55.7 31.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.4 mt-10 -57.26 -23.38 47.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.4 t -81.25 -43.97 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.69 -29.05 63.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -70.02 -31.05 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.8 p -77.59 -37.99 49.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' O ' HG12 ' A' ' 34' ' ' VAL . 14.3 tp10 -52.82 -25.82 12.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -83.46 -24.98 31.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.416 ' CD1' ' HB ' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -67.44 -48.53 66.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.341 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.868 HG23 ' HE2' ' A' ' 50' ' ' LYS . 9.8 p -61.77 -19.31 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.36 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -81.5 -24.33 36.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.635 ' HB3' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -80.36 -24.94 39.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.969 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -55.36 -24.9 31.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.151 . . . . 0.0 111.057 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 t -81.47 -45.0 16.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.953 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.57 -57.48 3.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' LYS . 11.3 p -54.81 -27.75 44.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.066 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.969 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -51.3 -24.11 4.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -78.02 55.64 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 168.48 -81.55 0.1 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.099 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.511 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.3 OUTLIER 162.13 43.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 0.793 . . . . 0.0 109.584 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 40' ' ' SER . 2.2 t -113.6 -27.15 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.519 ' HA ' ' CG1' ' A' ' 49' ' ' ILE . 14.7 p-10 -55.71 -21.93 21.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.443 ' HB3' ' CB ' ' A' ' 59' ' ' ASP . 1.3 p -89.85 -26.28 20.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 108.301 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.88 -23.54 33.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.635 HD13 ' HB3' ' A' ' 36' ' ' LYS . 1.2 pt -92.27 -37.08 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.582 1.176 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.868 ' HE2' HG23 ' A' ' 34' ' ' VAL . 3.1 mmmt -75.2 -61.74 1.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.205 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 1.8 tt0 -45.08 -23.73 0.18 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.589 1.181 . . . . 0.0 110.319 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.6 tp -95.83 -57.86 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.552 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -59.95 -70.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.552 ' N ' ' CD ' ' A' ' 53' ' ' ARG . 18.4 ttt180 -79.26 -55.28 5.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.537 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER 90.97 15.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -134.46 -41.92 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -82.61 53.86 2.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 52.3 t -64.75 73.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER 80.69 -52.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.511 ' HB2' HD13 ' A' ' 57' ' ' LEU . 4.7 t0 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.1 -25.16 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.421 ' O ' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -67.87 -46.16 72.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.24 83.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.0 mm -59.75 -23.12 25.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -83.52 -34.44 25.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.346 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -82.18 -59.74 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.8 t -45.97 -25.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.027 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' A' ' 12' ' ' LYS . 26.3 t0 -63.25 -40.68 98.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LYS . 34.4 mt-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.418 1.074 . . . . 0.0 110.301 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -41.57 -28.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -56.68 3.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -27.72 57.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 t -60.72 -56.25 23.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.36 -21.52 25.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.412 1.07 . . . . 0.0 110.268 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.1 t -81.38 -47.57 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.87 -30.87 67.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -67.66 -31.3 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.441 ' OG ' ' NH1' ' A' ' 53' ' ' ARG . 20.4 p -76.71 -36.93 56.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.553 ' O ' HG12 ' A' ' 34' ' ' VAL . 7.3 tp10 -52.75 -25.69 11.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -31.17 28.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.721 HD13 ' HB2' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -55.68 -47.9 75.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 31' ' ' GLU . 10.6 p -60.73 -22.15 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -86.74 -22.97 25.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -73.56 -24.38 60.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.663 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -55.31 -43.81 75.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.663 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -52.15 -42.64 63.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.963 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -83.81 -56.45 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.489 ' CB ' HG12 ' A' ' 49' ' ' ILE . 1.3 m -46.21 -26.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -48.3 -93.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 41' ' ' ALA . 27.3 mt 33.07 45.31 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.81 -81.84 0.21 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.34 38.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.572 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.534 ' CG1' HG23 ' A' ' 49' ' ' ILE . 2.5 t -97.95 -24.92 4.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.495 ' HB3' ' O ' ' A' ' 37' ' ' TYR . 13.1 p30 -54.21 -22.03 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.411 ' HB3' ' CG ' ' A' ' 59' ' ' ASP . 2.8 p -88.35 -27.08 21.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 108.293 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 45' ' ' VAL . 22.1 m -85.14 -19.39 31.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.455 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.886 HD12 ' N ' ' A' ' 50' ' ' LYS . 1.7 pp -89.56 -48.29 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.886 ' N ' HD12 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -63.91 -12.47 37.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.565 ' O ' HD12 ' A' ' 55' ' ' LEU . 9.3 tt0 -73.49 -22.45 60.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.17 -23.69 20.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.721 ' HB2' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -83.07 -67.73 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.551 ' N ' ' CD ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -93.28 -54.73 3.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER 85.53 30.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.945 ' O ' HG23 ' A' ' 58' ' ' VAL . 28.7 t80 -167.72 -39.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.651 HD23 ' CA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -38.85 -30.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 56' ' ' PHE . 69.2 t 53.84 83.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.434 ' HA ' ' OD1' ' A' ' 46' ' ' ASN . 0.3 OUTLIER 69.62 -60.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.345 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.651 ' CA ' HD23 ' A' ' 57' ' ' LEU . 16.9 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.1 ttm-85 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.487 ' O ' HG22 ' A' ' 2' ' ' ILE . 5.0 mt 42.73 64.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.382 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -91.53 -24.46 19.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.77 58.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.083 . . . . 0.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.19 32.73 6.37 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.5 1.125 . . . . 0.0 111.064 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.491 HG23 HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -111.13 -40.89 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 109.362 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.491 HD12 HG23 ' A' ' 6' ' ' VAL . 2.7 mp -85.34 -25.16 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -41.34 23.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -53.56 55.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.12 -24.62 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' ASP . 9.5 mt-30 -75.14 -55.88 5.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' GLU . 12.2 mtpp -44.82 -61.63 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.1 m -51.69 -24.65 5.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.051 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -85.66 -27.08 25.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.424 1.077 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LYS . 3.0 tt0 -89.79 -62.23 1.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . -37.61 -66.74 0.53 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.91 158.01 6.42 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.777 . . . . 0.0 109.6 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -35.43 3.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.515 1.798 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -52.29 -20.34 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 mmt85 -61.34 -30.43 70.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.65 -70.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -43.6 -26.06 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.47 -56.49 4.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.35 -27.66 64.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 t -54.18 -55.73 25.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.596 1.185 . . . . 0.0 110.056 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' O ' HG22 ' A' ' 29' ' ' ILE . 9.6 mt-10 -59.46 -23.24 62.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.3 t -81.4 -39.69 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.39 -25.18 50.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.449 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -71.83 -30.51 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.459 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 2.8 m -74.09 -31.76 62.95 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.45 1.094 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -52.06 -25.57 8.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -74.6 -39.03 62.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.12 -42.69 63.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.92 -22.0 25.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -86.14 -27.11 24.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.235 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.7 OUTLIER -73.27 -24.98 60.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.619 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -55.68 -33.18 63.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.619 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -65.11 -43.11 93.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 110.023 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.46 -25.58 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -80.14 -30.01 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.034 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -51.16 -21.64 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -40.44 -33.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . -148.98 61.59 0.43 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER 37.08 38.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.539 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.421 ' HB ' ' CB ' ' A' ' 40' ' ' SER . 11.9 t -86.47 -25.09 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.443 ' ND2' ' OD1' ' A' ' 59' ' ' ASP . 1.5 p30 -56.43 -41.09 75.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.38 1.05 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.51 ' HB2' HG13 ' A' ' 58' ' ' VAL . 6.5 p -70.62 -20.59 62.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 108.262 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.8 m -83.53 -37.63 22.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.715 HD12 ' N ' ' A' ' 50' ' ' LYS . 2.2 pp -83.29 -45.99 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.824 ' HD3' HD13 ' A' ' 57' ' ' LEU . 31.6 mttt -54.85 -44.74 74.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.965 ' O ' HD22 ' A' ' 55' ' ' LEU . 1.9 tm-20 -63.24 -17.4 62.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.81 -39.62 10.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.676 ' NH1' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -82.99 -67.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.242 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -73.74 -52.24 13.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.965 HD22 ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER 87.43 12.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -153.13 -43.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.944 HD23 ' O ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -40.91 -47.25 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.51 HG13 ' HB2' ' A' ' 47' ' ' CYS . 97.0 t 39.76 73.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 58' ' ' VAL . 12.4 t0 78.94 -55.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.224 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.944 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.2 t0 . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.66 46.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -103.2 -24.6 13.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.27 -141.36 0.33 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 138.7 -18.69 3.19 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 7' ' ' ILE . 8.3 p -100.44 -46.04 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 0.806 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.407 ' N ' HG13 ' A' ' 6' ' ' VAL . 34.2 mm -73.96 -25.35 20.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -65.14 -50.07 67.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.03 93.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -56.73 -63.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' GLU . 13.7 pt20 -57.91 -40.22 79.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -52.02 -50.57 61.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -77.6 -22.29 51.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.041 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -75.04 -31.12 61.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.509 ' OE2' ' CE1' ' A' ' 17' ' ' HIS . 1.8 pt-20 -99.71 -31.52 11.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.422 ' N ' ' HG2' ' A' ' 15' ' ' GLU . . . 37.39 69.35 0.31 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.509 ' CE1' ' OE2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -114.79 97.44 47.28 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.445 0.732 . . . . 0.0 109.563 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -69.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -82.34 -33.74 28.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' CB ' ' HB2' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -47.28 -39.39 14.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.261 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 23' ' ' LEU . . . -43.24 -70.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -42.63 -26.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' A' ' 21' ' ' ALA . 1.2 mt -80.45 -56.52 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -59.07 -27.67 65.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.9 t -60.99 -56.23 23.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -55.41 -21.77 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.6 t -81.24 -52.45 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.369 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.466 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -66.07 -42.84 88.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -29.5 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.45 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 12.5 m -68.38 -29.7 68.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 0.0 110.029 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -57.11 -25.61 59.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -79.45 -22.98 43.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.488 HD12 ' HB ' ' A' ' 49' ' ' ILE . 2.4 mm? -72.0 -48.08 47.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.88 HG23 ' NZ ' ' A' ' 50' ' ' LYS . 5.8 p -64.01 -26.13 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -86.13 -19.94 29.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -77.71 -25.57 49.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.619 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -56.55 -33.16 65.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.619 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -64.7 -41.22 96.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -82.74 -27.1 31.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.423 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 1.0 OUTLIER -80.1 -27.46 39.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.991 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -50.66 -22.35 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.75 55.39 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 162.32 -81.51 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.529 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER 160.25 47.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 109.585 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.1 t -111.16 -27.13 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.496 ' HA ' ' CG1' ' A' ' 49' ' ' ILE . 10.0 p-10 -56.68 -18.67 13.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.456 ' HA ' ' N ' ' A' ' 59' ' ' ASP . 13.1 p -88.6 -26.18 22.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 108.272 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.0 m -84.65 -56.01 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.443 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.496 ' CG1' ' HA ' ' A' ' 46' ' ' ASN . 1.1 pp -46.8 -65.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.88 ' NZ ' HG23 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -48.31 -50.68 29.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.579 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -38.37 -32.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.237 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -94.92 -64.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' CG ' ' HB3' ' A' ' 30' ' ' SER . 0.0 OUTLIER -40.08 -68.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -94.42 -55.12 3.28 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 51' ' ' GLU . 0.6 OUTLIER 83.31 25.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -142.93 -44.52 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -67.11 -44.88 78.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.409 HG12 ' C ' ' A' ' 57' ' ' LEU . 2.4 p 40.62 89.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.358 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.456 ' N ' ' HA ' ' A' ' 47' ' ' CYS . 2.8 t0 53.55 99.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.564 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 30.5 t0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 mp 42.36 69.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.54 -27.19 14.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 0.0 111.077 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.18 -141.26 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.3 44.57 4.96 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.4 t -152.74 -53.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -86.14 -25.13 6.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -51.96 40.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -53.84 53.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.3 mm -57.63 -23.31 19.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -75.1 -35.21 61.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.56 ' HB3' ' CD2' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -71.17 -38.41 72.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.189 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.4 t -71.02 -25.76 62.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.952 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -85.68 -24.76 26.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.391 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -91.67 -37.28 13.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.243 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.22 107.38 0.23 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.722 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -113.99 97.47 45.12 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.487 0.757 . . . . 0.0 109.602 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 -34.96 3.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.484 1.781 . . . . 0.0 110.945 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -72.71 -68.61 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.5 mtt85 -50.4 -24.21 2.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -52.35 -32.27 37.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -79.28 -25.19 42.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -80.63 -55.67 4.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.253 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.7 -27.6 68.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -59.97 -56.26 23.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.3 -21.41 34.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.1 t -81.36 -45.64 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.228 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.9 -27.18 61.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -73.85 -31.02 29.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.419 ' HB3' ' NH1' ' A' ' 53' ' ' ARG . 43.6 m -78.17 -36.82 47.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 110.052 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' O ' HG12 ' A' ' 34' ' ' VAL . 34.8 tt0 -52.21 -25.53 9.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 110.243 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.444 ' OE1' ' CA ' ' A' ' 32' ' ' GLU . 2.1 tp10 -83.19 -24.11 32.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 2.2 mm? -68.14 -48.4 65.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 31' ' ' GLU . 1.5 p -60.57 -30.15 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -79.4 -26.39 41.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -25.97 61.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.723 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -58.61 -25.82 63.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.611 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 12.7 t -68.83 -45.09 72.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.872 ' O ' HD23 ' A' ' 42' ' ' LEU . 1.2 m-20 -83.41 -28.81 28.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.443 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 1.2 m -80.13 -27.01 39.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 110.031 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -54.2 -19.85 5.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.872 HD23 ' O ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -85.1 46.76 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.8 ' O ' HG23 ' A' ' 45' ' ' VAL . . . 158.82 40.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.566 1.166 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' GLY . 28.9 m170 35.57 35.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 109.609 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 43' ' ' GLY . 57.3 t -92.81 -27.75 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.376 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.504 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 4.8 p-10 -58.02 -29.79 65.6 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 11.4 p -80.07 -25.23 40.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 108.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.0 m -83.56 -26.95 29.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.476 ' CD1' ' HG2' ' A' ' 50' ' ' LYS . 1.9 pp -91.72 -36.67 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -74.88 -46.5 35.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.735 ' O ' HD12 ' A' ' 55' ' ' LEU . 11.8 tt0 -39.06 -31.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -94.98 -64.39 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.531 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -39.85 -69.27 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.531 ' N ' ' CD ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -94.88 -55.4 3.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER 88.34 23.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.71 -44.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.039 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' A' ' 60' ' ' ASP . 1.1 tm? -47.01 -43.62 19.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 60' ' ' ASP . 43.9 t 39.01 63.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER 68.26 -59.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.55 ' HB2' HD13 ' A' ' 57' ' ' LEU . 9.4 t70 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.527 ' O ' HG22 ' A' ' 2' ' ' ILE . 5.1 mt 41.76 66.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.625 1.203 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -108.85 -24.4 11.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -100.37 62.87 1.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.84 37.3 3.33 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.658 ' O ' HG23 ' A' ' 10' ' ' ILE . 74.3 t -123.62 -78.16 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 109.236 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.608 ' H ' HD12 ' A' ' 7' ' ' ILE . 4.5 mp -48.27 -25.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.21 -47.81 6.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.87 -46.19 88.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.658 HG23 ' O ' ' A' ' 6' ' ' VAL . 4.3 pt -67.06 -23.91 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -67.08 -46.6 73.8 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.446 1.091 . . . . 0.0 110.201 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -66.21 -38.42 87.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.5 t -68.7 -25.77 64.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.051 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -85.78 -27.31 25.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -87.11 -47.24 9.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.245 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.2 104.08 0.95 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.44 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 70.4 m-70 -110.39 159.28 32.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.617 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -60.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.419 1.747 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -96.85 -54.28 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -41.38 -35.18 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -56.23 -70.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -43.59 -26.17 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 110.943 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.86 -56.6 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -27.62 66.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 t -63.15 -55.69 23.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.072 . . . . 0.0 110.049 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.49 ' O ' HG22 ' A' ' 29' ' ' ILE . 3.0 tt0 -55.53 -21.82 18.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.5 t -80.9 -45.3 21.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.165 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.5 -23.73 58.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.698 HD13 ' HG2' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -71.65 -30.45 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.409 ' O ' ' NH1' ' A' ' 53' ' ' ARG . 13.8 m -64.02 -32.9 74.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.727 ' O ' HG12 ' A' ' 34' ' ' VAL . 27.7 tt0 -56.0 -25.37 43.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.698 ' HG2' HD13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -82.62 -23.13 34.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.498 HD12 ' HB ' ' A' ' 49' ' ' ILE . 1.2 mm? -67.3 -40.55 86.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.727 HG12 ' O ' ' A' ' 31' ' ' GLU . 3.1 p -60.71 -24.57 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -33.22 20.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -60.98 -25.14 66.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.813 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -65.99 -26.09 67.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.619 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 34.2 t -72.02 -39.95 68.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.952 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -83.92 -36.65 23.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.7 p -75.51 -26.32 58.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.97 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.813 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -50.22 -22.32 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.06 55.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . 166.87 -80.65 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.422 1.076 . . . . 0.0 111.042 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 1.6 m-70 160.91 45.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.549 HG13 HG23 ' A' ' 49' ' ' ILE . 2.4 t -111.32 -27.62 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.511 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 7.9 p-10 -56.58 -23.38 40.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.7 p -88.79 -22.92 23.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.317 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.8 m -83.38 -47.02 11.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.37 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.549 HG23 HG13 ' A' ' 45' ' ' VAL . 15.7 pt -63.38 -48.02 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -47.63 -59.99 2.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.834 ' O ' HD23 ' A' ' 55' ' ' LEU . 4.8 tt0 -40.07 -27.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.456 ' N ' ' C ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -95.58 -59.51 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -55.93 -70.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.834 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -81.8 -55.28 4.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.834 HD12 ' O ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER 88.59 23.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -169.19 -46.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.504 HD21 ' C ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -41.8 -38.53 1.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 41.3 t 41.81 89.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.359 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' OD1' ' ND2' ' A' ' 46' ' ' ASN . 3.3 t0 48.61 95.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.532 ' C ' ' CE2' ' A' ' 37' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 mt -107.69 56.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -132.68 -43.11 0.91 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.15 -141.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 88.5 -16.56 53.04 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.531 1.145 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.7 p -122.63 -45.14 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.554 0.796 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 11' ' ' GLN . 1.1 pp -69.7 -25.09 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.95 -56.1 20.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -42.22 95.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.6 mt -69.96 -23.08 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.335 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 7' ' ' ILE . 23.7 tt0 -84.44 -56.91 3.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.118 . . . . 0.0 110.254 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -29.37 66.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.5 t -81.92 -20.96 37.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.036 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.68 -28.84 24.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -99.76 -24.72 14.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.71 87.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.412 ' CB ' ' HB2' ' A' ' 20' ' ' ARG . 2.4 m170 -111.11 161.64 24.22 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.569 0.805 . . . . 0.0 109.593 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -72.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.545 1.813 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -52.79 -19.68 2.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HB2' ' CB ' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -66.3 -42.83 87.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.3 -28.24 67.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -69.63 -33.5 72.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.22 -44.49 19.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -27.63 64.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 t -60.69 -52.37 65.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.546 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -54.73 -27.0 37.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.2 t -80.76 -46.8 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.393 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.66 -27.26 68.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 109.26 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -74.1 -32.53 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.422 1.076 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.471 ' HB2' ' CD ' ' A' ' 53' ' ' ARG . 59.9 p -72.48 -34.55 67.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.991 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -51.98 -25.27 7.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -77.15 -27.06 53.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.35 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.799 HD22 ' HB2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -74.17 -48.68 27.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.5 p -59.76 -22.55 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.81 -24.88 26.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -74.38 -24.13 59.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -55.25 -31.28 61.41 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.579 1.174 . . . . 0.0 111.02 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.62 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 12.9 t -67.62 -42.2 82.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.522 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.2 t30 -83.09 -26.72 30.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.412 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 3.9 m -80.06 -27.6 39.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.026 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' CA ' ' HB3' ' A' ' 46' ' ' ASN . . . -50.97 -20.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 39' ' ' ASN . 4.1 mt -37.64 -65.57 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.597 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -115.63 64.61 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 43' ' ' GLY . 26.1 m-70 37.46 34.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.67 HG12 HG23 ' A' ' 49' ' ' ILE . 15.1 t -90.81 -23.9 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.601 ' ND2' ' H ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -55.51 -41.74 73.51 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.601 ' H ' ' ND2' ' A' ' 46' ' ' ASN . 12.4 p -74.78 -22.25 58.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 108.23 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.2 m -83.1 -30.11 28.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 110.446 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.876 HD12 ' N ' ' A' ' 50' ' ' LYS . 2.0 pp -92.57 -49.11 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.876 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.0 tptp -41.59 -64.52 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.511 ' HB2' HD22 ' A' ' 55' ' ' LEU . 8.8 pt-20 -56.87 -27.46 60.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -65.15 -19.39 65.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.799 ' HB2' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -90.97 -69.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 6.3 tpm_? -92.27 -43.54 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.751 HD13 ' O ' ' A' ' 55' ' ' LEU . 1.4 tm? 83.72 39.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -155.34 -43.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.752 HD13 ' CE ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -54.35 -39.95 67.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.7 t 39.45 89.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.437 ' HA ' ' OD1' ' A' ' 46' ' ' ASN . 1.6 t70 68.03 106.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.568 ' C ' ' CE2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.404 ' O ' HG22 ' A' ' 2' ' ' ILE . 12.5 mm -123.66 51.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -97.44 -24.38 15.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.87 72.97 3.04 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -110.82 55.08 0.52 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 7' ' ' ILE . 7.3 p -149.09 -49.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.436 ' N ' HG13 ' A' ' 6' ' ' VAL . 5.6 mt -72.62 -25.18 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.13 -43.29 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.49 -47.71 66.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.256 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mm -54.49 -25.65 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -77.07 -17.47 58.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -81.55 -41.06 22.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.075 . . . . 0.0 109.353 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 t -81.18 -22.89 38.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -83.8 -33.17 25.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.08 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -99.45 -6.13 28.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -37.91 -44.55 1.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -152.43 97.44 2.95 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.555 0.797 . . . . 0.0 109.579 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.676 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 18.2 Cg_endo -74.95 160.47 40.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.562 1.822 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -105.77 -33.62 7.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.486 ' NH2' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -96.71 -30.11 13.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.233 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.676 ' HB3' ' HB2' ' A' ' 18' ' ' PRO . . . -75.13 -20.12 59.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -72.07 -28.27 63.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.85 -55.49 4.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.11 -27.72 62.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -57.17 -56.17 25.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.581 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.7 mt-10 -54.03 -25.04 19.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t -81.37 -48.93 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.53 -22.84 66.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -68.28 -30.71 48.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 p -65.76 -28.59 69.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.947 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.658 ' O ' HG12 ' A' ' 34' ' ' VAL . 11.8 tp10 -59.3 -26.13 64.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -83.18 -30.43 27.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.472 ' CD1' ' HB ' ' A' ' 49' ' ' ILE . 0.7 OUTLIER -51.29 -48.44 62.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 31' ' ' GLU . 11.7 p -59.69 -27.74 38.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -80.63 -16.98 52.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 4.4 tttt -80.7 -23.59 39.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.655 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -54.14 -42.5 69.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 37' ' ' TYR . 23.4 t -56.42 -41.06 75.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.954 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.679 ' O ' HD23 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -82.64 -56.36 3.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.078 . . . . 0.0 109.268 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.453 ' CB ' ' HB ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -52.45 -33.41 44.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.01 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -50.69 -22.38 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 39' ' ' ASN . 4.1 pp -45.63 -26.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -149.39 60.55 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER 36.36 34.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.598 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 43' ' ' GLY . 9.1 t -87.49 -23.59 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 5.7 p-10 -55.07 -50.37 69.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.678 ' HB2' HG13 ' A' ' 58' ' ' VAL . 6.9 p -67.76 -20.54 65.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 108.294 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 m -77.82 -29.94 50.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.472 ' HB ' ' CD1' ' A' ' 33' ' ' LEU . 27.6 pt -91.35 -43.48 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.554 ' NZ ' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -59.84 -58.56 8.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.603 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -39.12 -29.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -94.83 -65.01 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -43.63 -70.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.42 ' HD2' ' NH2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -87.42 -55.17 3.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.603 HD12 ' O ' ' A' ' 51' ' ' GLU . 0.5 OUTLIER 80.48 30.76 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.222 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.69 -44.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.103 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -47.51 74.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.678 HG13 ' HB2' ' A' ' 47' ' ' CYS . 69.7 t 46.54 91.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.453 ' CB ' ' ND2' ' A' ' 46' ' ' ASN . 1.1 t0 61.8 100.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.551 ' C ' ' CZ ' ' A' ' 37' ' ' TYR . 44.6 t0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.402 ' N ' ' HD2' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.9 mm -128.96 48.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -93.69 -24.6 17.8 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -100.18 -8.2 23.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.2 -20.69 5.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.433 1.083 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.3 m -70.15 -34.32 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.425 0.721 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.11 -25.16 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -62.45 -51.28 68.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.22 -47.2 52.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.6 mm -54.83 -23.28 11.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -90.64 -49.33 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.185 . . . . 0.0 110.311 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -61.21 -31.57 71.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.4 m -79.77 -23.73 42.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.969 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -77.07 -31.3 55.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -99.71 -29.1 12.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.232 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . 37.44 77.65 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -122.06 152.87 60.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.438 0.728 . . . . 0.0 109.6 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.17 -62.58 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.461 1.769 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -54.85 -19.57 6.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.573 1.171 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -52.13 57.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.23 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.39 -39.56 76.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -55.22 -26.48 39.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.74 -56.77 3.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -62.17 -27.58 69.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 m -69.97 -34.38 73.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.858 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.4 tt0 -64.55 -24.2 67.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.5 t -80.9 -56.15 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 31' ' ' GLU . . . -51.9 -40.11 60.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.858 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -51.22 -25.78 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.423 ' HB2' ' NH2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -71.08 -29.6 65.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.038 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.471 ' O ' HG12 ' A' ' 34' ' ' VAL . 35.5 tt0 -56.84 -25.09 55.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 35' ' ' GLN . 3.9 tt0 -79.82 -33.72 40.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.492 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -48.98 -48.03 43.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.223 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.556 HG23 ' HE2' ' A' ' 50' ' ' LYS . 6.3 p -65.99 -25.9 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' GLU . 25.8 mt-30 -81.09 -21.63 39.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -74.94 -25.99 59.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.644 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -59.15 -24.43 63.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -47.91 53.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.989 ' O ' HD23 ' A' ' 42' ' ' LEU . 8.0 m120 -82.07 -26.17 33.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.654 ' OG ' HG21 ' A' ' 49' ' ' ILE . 17.9 m -79.68 -26.59 40.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -68.47 -6.47 25.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.989 HD23 ' O ' ' A' ' 39' ' ' ASN . 4.3 pp -38.2 -55.3 1.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.742 ' N ' HD12 ' A' ' 42' ' ' LEU . . . -114.26 -52.76 0.44 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.411 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.1 OUTLIER 168.34 41.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 0.721 . . . . 0.0 109.581 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.726 HG12 HG23 ' A' ' 49' ' ' ILE . 13.0 t -100.31 -24.83 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.605 ' OD1' ' CD2' ' A' ' 37' ' ' TYR . 1.1 p30 -55.73 -23.61 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.5 p -82.02 -29.68 31.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.338 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.5 m -85.5 -32.0 22.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.726 HG23 HG12 ' A' ' 45' ' ' VAL . 1.2 pp -79.81 -37.89 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.932 ' HD2' HD22 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -56.53 -59.55 4.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.499 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -58.41 -23.38 57.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 49' ' ' ILE . 4.2 tp -43.01 -65.2 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.566 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -92.4 -68.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.667 ' HD3' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -46.79 -46.38 20.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 110.366 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER 62.19 14.05 6.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -143.12 -42.8 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.96 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.932 HD22 ' HD2' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -39.35 -48.76 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.405 ' C ' ' OD1' ' A' ' 59' ' ' ASP . 76.1 t 47.87 86.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER 44.94 92.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.584 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 54.7 t0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mt 44.33 62.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -156.3 -43.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -79.43 65.07 4.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.02 -9.04 71.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.43 ' CG1' HD12 ' A' ' 7' ' ' ILE . 8.3 p -89.83 -27.95 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.43 HD12 ' CG1' ' A' ' 6' ' ' VAL . 1.5 mp -77.29 -25.1 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.372 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -67.67 -45.59 74.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.87 -48.45 63.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.1 mt -50.97 -23.37 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 15' ' ' GLU . 21.5 tt0 -87.75 -43.91 11.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 16' ' ' GLY . 3.3 mtpt -56.47 -34.86 67.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 t -80.1 -25.15 40.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.976 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -83.25 -26.32 30.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' GLN . 8.5 mt-10 -99.72 -24.55 14.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . 38.23 80.1 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -77.25 153.56 82.09 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.419 0.717 . . . . 0.0 109.561 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -82.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.562 1.822 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.8 -27.52 13.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.077 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -50.36 -42.35 53.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 110.252 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . -51.01 -67.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.09 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ALA . 14.7 tp -80.58 -56.07 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -58.77 -27.62 65.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' ILE . 30.2 t -65.13 -51.11 63.18 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.465 1.103 . . . . 0.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.453 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.2 tp10 -52.32 -26.28 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.402 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.1 t -81.39 -46.57 20.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.147 . . . . 0.0 109.339 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.11 -22.33 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -79.8 -30.28 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 9.2 m -63.12 -28.4 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 110.041 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.529 ' O ' HG12 ' A' ' 34' ' ' VAL . 5.4 mt-10 -61.35 -28.49 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -83.44 -25.72 30.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 29' ' ' ILE . 1.2 mm? -59.63 -47.57 85.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.624 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 8.4 p -64.03 -17.7 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? -87.07 -35.51 18.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -23.63 62.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -54.64 -23.94 19.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.609 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -78.96 -49.07 13.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.96 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -72.58 -53.0 13.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.2 p -50.93 -38.48 50.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.957 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -50.4 -22.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.617 1.198 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.53 HD12 ' C ' ' A' ' 42' ' ' LEU . 3.2 pp -47.73 -24.8 1.03 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.573 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -150.34 54.1 0.49 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.4 OUTLIER 39.03 30.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.592 0.819 . . . . 0.0 109.653 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 43' ' ' GLY . 94.6 t -82.41 -26.18 8.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 59' ' ' ASP . 15.8 p-10 -56.92 -39.52 74.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.425 1.078 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 46.4 t -62.96 -18.62 63.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 108.233 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.2 m -85.08 -46.33 11.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.72 HD12 ' HD2' ' A' ' 50' ' ' LYS . 2.3 pp -78.5 -42.64 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.914 ' HE2' HD22 ' A' ' 57' ' ' LEU . 24.4 mmmt -61.97 -55.37 30.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.722 ' HB2' HG12 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -56.13 -16.01 4.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.8 -64.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.499 ' NH2' ' NH2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -66.31 -69.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.69 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -66.1 -49.04 68.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER 65.48 11.82 7.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -138.38 -39.05 0.53 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 111.02 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.914 HD22 ' HE2' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -63.75 -50.1 70.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.722 HG12 ' HB2' ' A' ' 51' ' ' GLU . 9.0 m 43.43 92.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.465 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 5.6 p-10 44.91 91.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.0 t0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.953 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.636 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.2 OUTLIER -40.18 -37.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.621 ' CB ' ' O ' ' A' ' 2' ' ' ILE . 2.0 t80 81.39 -23.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 2' ' ' ILE . 0.0 OUTLIER -99.15 39.96 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.66 -17.35 64.64 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.405 1.066 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 m -66.92 -44.12 88.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.283 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 mp -70.95 -25.47 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.49 -45.65 65.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.56 -45.83 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.3 mm -63.73 -24.71 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -71.81 -47.5 52.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' CG ' ' HG3' ' A' ' 20' ' ' ARG . 25.1 mtpt -50.93 -38.87 52.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -81.61 -23.99 36.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.404 1.065 . . . . 0.0 110.049 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -79.18 -28.86 42.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 16' ' ' GLY . 2.4 mm-40 -99.76 -27.79 13.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' GLU . . . 37.62 51.59 1.89 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.3 t-80 -125.19 145.11 49.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.625 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 18.3 Cg_endo -75.0 57.53 4.6 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -104.15 -28.2 11.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.463 ' HG3' ' CG ' ' A' ' 12' ' ' LYS . 2.7 mmt180 -95.32 -51.26 4.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.91 -21.63 31.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -78.17 -25.88 47.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.057 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.658 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -80.68 -56.79 3.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.18 -27.7 67.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -65.71 -55.51 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -60.14 -21.38 61.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 23' ' ' LEU . 87.0 t -81.3 -41.02 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.33 -24.55 50.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -73.18 -30.53 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.374 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.6 m -76.75 -33.17 58.12 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.783 ' O ' HG12 ' A' ' 34' ' ' VAL . 36.6 tt0 -52.21 -25.84 10.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.346 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -81.83 -25.68 34.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.527 HD22 ' HB2' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -66.4 -43.39 85.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.783 HG12 ' O ' ' A' ' 31' ' ' GLU . 9.1 p -59.61 -24.13 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -86.56 -30.37 21.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -28.58 68.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.597 ' CD2' ' OD1' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -55.95 -28.41 56.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 111.012 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 40.3 t -68.61 -44.37 74.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -81.91 -27.99 33.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.429 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 4.1 m -79.83 -27.05 40.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -51.33 -21.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 41' ' ' ALA . 1.0 OUTLIER -38.5 -87.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -68.69 -64.41 3.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.509 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.5 OUTLIER 161.09 44.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.454 0.738 . . . . 0.0 109.59 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.555 HG12 HG23 ' A' ' 49' ' ' ILE . 1.9 t -100.03 -24.9 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.597 ' OD1' ' CD2' ' A' ' 37' ' ' TYR . 1.3 p30 -55.48 -22.61 21.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.2 p -89.28 -25.75 21.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 108.331 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 91.1 m -84.62 -37.2 21.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.555 HG23 HG12 ' A' ' 45' ' ' VAL . 1.1 pt -76.81 -13.61 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.543 ' CE ' ' HA ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -80.46 -62.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.235 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -54.91 -17.0 3.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.23 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.8 -35.25 15.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.527 ' HB2' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -90.57 -71.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.248 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.594 ' HD3' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -70.91 -48.15 55.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER 87.44 7.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.41 -43.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.594 HD13 ' HD3' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -39.51 -44.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' LEU . 60.6 t 38.34 85.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER 61.16 92.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.58 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.9 mm -119.96 50.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -101.01 -24.4 14.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.986 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.96 61.9 2.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.63 52.23 0.72 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.109 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p -149.16 -47.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 109.246 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 mp -69.26 -25.11 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -52.05 62.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.52 -53.14 56.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mm -53.92 -23.84 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.72 -29.26 65.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -72.31 -36.91 69.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.4 m -82.94 -23.93 33.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -83.55 -25.83 30.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -99.49 -25.55 14.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.11 47.12 2.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.567 1.167 . . . . 0.0 111.039 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.483 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -122.48 170.7 7.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.529 0.782 . . . . 0.0 109.578 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -164.34 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.49 ' O ' ' CB ' ' A' ' 22' ' ' TYR . 5.1 m-85 -49.55 -21.88 1.1 Allowed 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -58.41 -39.87 80.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' HB2' ' CB ' ' A' ' 17' ' ' HIS . . . -61.6 -26.06 67.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.396 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.49 ' CB ' ' O ' ' A' ' 19' ' ' PHE . 12.7 t80 -59.01 -25.83 64.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.76 -55.15 5.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -62.72 -27.56 69.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.404 1.065 . . . . 0.0 110.246 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 1.2 m -54.81 -50.28 68.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.612 1.195 . . . . 0.0 109.918 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.636 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.1 mt-10 -55.13 -27.08 42.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.23 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.32 -48.38 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.31 -22.66 67.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -68.37 -31.04 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.45 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 1.1 m -72.2 -26.94 62.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' HG12 ' A' ' 34' ' ' VAL . 8.3 tp10 -60.92 -26.64 67.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.304 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -83.39 -31.38 26.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -50.97 -47.16 61.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.651 HG23 ' HZ1' ' A' ' 50' ' ' LYS . 3.5 p -62.43 -24.32 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.402 1.064 . . . . 0.0 109.375 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.11 -19.16 51.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -80.18 -25.61 39.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.645 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -55.97 -23.94 35.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 111.04 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -78.77 -39.21 36.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.607 ' O ' HD12 ' A' ' 42' ' ' LEU . 3.5 t-20 -82.3 -31.87 29.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.513 ' OG ' ' CG1' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -79.95 -26.21 40.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -47.82 -22.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.346 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 39' ' ' ASN . 1.3 mt -75.14 55.32 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 109.286 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.923 ' O ' HG23 ' A' ' 45' ' ' VAL . . . 118.64 66.44 0.31 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.466 ' O ' ' O ' ' A' ' 40' ' ' SER . 21.7 m170 50.81 -134.18 1.62 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 0.746 . . . . 0.0 109.573 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.923 HG23 ' O ' ' A' ' 43' ' ' GLY . 5.2 t 70.46 -56.08 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.542 ' CB ' ' HA ' ' A' ' 37' ' ' TYR . 6.8 p30 -54.7 -20.11 7.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.577 1.173 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.464 ' HA ' ' N ' ' A' ' 59' ' ' ASP . 13.2 p -90.22 -26.78 19.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.238 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 45' ' ' VAL . 80.7 m -84.92 -44.69 12.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.519 HD12 ' N ' ' A' ' 50' ' ' LYS . 2.4 pp -61.9 -50.7 79.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.776 ' HE3' HD22 ' A' ' 57' ' ' LEU . 11.7 mttp -52.25 -54.79 26.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.988 ' O ' HD23 ' A' ' 55' ' ' LEU . 31.5 tt0 -58.67 -16.67 17.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.86 -36.49 12.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' CG ' ' HB3' ' A' ' 30' ' ' SER . 0.0 OUTLIER -89.85 -68.43 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.18 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' LYS . 6.8 tpt180 -72.23 -42.23 65.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.988 HD23 ' O ' ' A' ' 51' ' ' GLU . 2.2 mt 73.11 10.97 5.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -144.73 -43.89 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.776 HD22 ' HE3' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -49.24 -47.14 46.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.562 HG22 ' HB2' ' A' ' 51' ' ' GLU . 74.8 t 37.91 84.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.464 ' N ' ' HA ' ' A' ' 47' ' ' CYS . 7.7 t0 74.59 -56.32 0.64 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.761 ' C ' HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.619 ' HG2' HD12 ' A' ' 2' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.707 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.4 mp -98.62 58.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.403 1.064 . . . . 0.0 109.241 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -86.55 -30.26 22.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.557 ' HB3' HD12 ' A' ' 7' ' ' ILE . 11.8 mttt -85.89 66.76 9.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.05 21.36 22.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.78 -30.01 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.557 HD12 ' HB3' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -81.51 -25.09 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.9 -42.24 58.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.13 -52.03 15.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.8 mt -53.41 -23.2 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.252 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 15' ' ' GLU . 2.3 mm-40 -77.07 -44.56 30.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -48.4 70.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.7 t -63.47 -27.44 69.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.594 1.184 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -85.8 -32.89 21.54 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.4 mm-40 -77.51 -44.0 30.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.11 97.79 0.39 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.063 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.483 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 7.0 m170 -102.05 162.4 20.43 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.472 0.748 . . . . 0.0 109.642 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -75.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -104.45 -27.58 11.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -55.33 -46.44 76.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' HB2' ' HB2' ' A' ' 17' ' ' HIS . . . -60.18 -54.09 49.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -39.66 -28.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.6 mm? -80.72 -56.88 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -27.65 66.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.3 t -64.74 -50.74 65.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -22.2 63.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.0 t -81.34 -47.58 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.14 84.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -29.86 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 m -78.18 -35.9 48.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.566 ' O ' HG12 ' A' ' 34' ' ' VAL . 28.7 tt0 -52.02 -25.31 8.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.97 -27.36 33.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.32 -48.51 79.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 31' ' ' GLU . 11.5 p -60.08 -27.95 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.21 -30.62 34.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -23.4 64.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -54.62 -43.69 72.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.637 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -53.79 -40.45 66.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -83.35 -38.61 21.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.2 m -64.26 -33.45 75.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.547 ' HB2' ' ND2' ' A' ' 46' ' ' ASN . . . -50.69 -22.4 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.182 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.685 HD12 ' C ' ' A' ' 42' ' ' LEU . 1.2 pp -45.01 -26.71 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.599 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -152.64 56.46 0.44 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' GLY . 7.1 p80 38.14 31.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.602 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 43' ' ' GLY . 99.0 t -83.43 -25.09 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.547 ' ND2' ' HB2' ' A' ' 41' ' ' ALA . 5.4 p30 -56.44 -19.05 13.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 58' ' ' VAL . 12.1 t -88.45 -26.5 22.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 108.349 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.1 m -84.99 -20.8 29.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.925 HD12 ' N ' ' A' ' 50' ' ' LYS . 1.9 pp -87.05 -48.57 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.925 ' N ' HD12 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -63.26 -27.2 69.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.706 ' O ' HD12 ' A' ' 55' ' ' LEU . 31.0 tt0 -39.34 -38.7 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -94.68 -64.45 1.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.868 HH22 HD22 ' A' ' 57' ' ' LEU . 4.9 tmm_? -36.13 -72.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.365 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.428 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -95.97 -56.15 2.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.354 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 51' ' ' GLU . 1.4 tt 82.57 21.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.45 ' C ' ' N ' ' A' ' 58' ' ' VAL . 0.5 OUTLIER -150.64 -44.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.868 HD22 HH22 ' A' ' 53' ' ' ARG . 0.2 OUTLIER -38.23 -32.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.711 ' O ' HG12 ' A' ' 58' ' ' VAL . 14.6 t 39.33 71.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.44 ' OD1' ' ND2' ' A' ' 46' ' ' ASN . 11.2 t0 70.29 -58.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' VAL . 9.5 t70 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 76.4 mt -74.41 -60.83 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -170.01 -39.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.26 -141.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.46 -17.72 20.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.5 t -105.32 -41.74 6.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 109.24 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.3 mm -65.01 -25.04 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -74.15 -49.9 21.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.26 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.9 65.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.0 mm -55.64 -23.33 14.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.243 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -65.21 -45.54 84.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -82.5 -55.31 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -47.5 -24.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.973 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -65.91 -38.31 88.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' LYS . 39.3 mt-10 -99.72 -30.67 11.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.29 -76.62 0.39 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 111.06 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 175.3 97.4 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.608 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 150.86 38.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.4 1.737 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -57.09 -18.62 15.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.587 1.18 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -75.92 -40.86 53.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.244 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.41 -25.89 68.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -69.64 -36.56 76.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.75 -43.06 20.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.213 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -28.26 69.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.9 p -66.42 -39.14 88.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.949 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -52.1 -22.25 3.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 31' ' ' GLU . 54.2 t -81.16 -54.98 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.72 -29.29 70.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 mp -76.76 -55.65 10.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 29.3 m -64.69 -26.63 68.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.541 ' O ' HG22 ' A' ' 34' ' ' VAL . 33.3 tt0 -61.62 -25.15 67.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -83.02 -23.61 33.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.64 ' CD1' HD13 ' A' ' 49' ' ' ILE . 3.8 mm? -64.11 -48.72 75.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.57 HG13 ' HE ' ' A' ' 53' ' ' ARG . 8.7 m -60.81 -19.45 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.415 1.072 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -79.85 -16.56 55.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.6 OUTLIER -80.33 -27.77 38.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 1.023 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.8 OUTLIER -54.74 -21.36 10.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 111.046 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.49 -50.31 10.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 110.003 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -83.15 -59.58 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 36' ' ' LYS . 41.9 t -48.51 -26.36 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.032 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 1.023 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -49.0 -88.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' ALA . 15.8 mt 36.23 35.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ALA . . . 137.7 -80.95 0.28 Allowed Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.412 ' HB3' ' O ' ' A' ' 43' ' ' GLY . 0.6 OUTLIER -178.26 48.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 0.818 . . . . 0.0 109.585 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 41' ' ' ALA . 1.3 t -92.66 -41.7 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.389 1.055 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.607 ' CB ' ' HA ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -58.54 -29.44 66.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.468 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 7.9 p -51.49 -25.12 5.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 108.31 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.8 m -85.03 -28.24 25.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.884 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -90.88 -14.03 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.49 ' HZ1' HG12 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -78.13 -58.46 3.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -56.75 -17.07 7.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.32 -36.04 16.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.57 ' HE ' HG13 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -90.66 -68.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.8 tpt85 -71.4 -51.68 22.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.242 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER 87.54 6.73 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -145.78 -44.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.579 HD13 ' C ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -43.82 -48.72 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.401 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 83.9 t 39.94 76.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.234 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.438 ' HB2' ' CB ' ' A' ' 47' ' ' CYS . 11.2 t0 75.07 -57.62 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.579 ' C ' HD13 ' A' ' 57' ' ' LEU . 8.3 t0 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.417 ' O ' HG22 ' A' ' 2' ' ' ILE . 6.2 mt -109.09 52.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.234 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -100.21 -24.55 14.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 5' ' ' GLY . 3.6 ptmt -99.8 -141.82 0.33 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.435 ' O ' ' CB ' ' A' ' 9' ' ' ALA . . . 78.46 9.82 86.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.073 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.659 ' O ' HG23 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -112.35 -48.05 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.57 0.806 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.435 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 1.1 pt -70.15 -25.04 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.91 -36.36 12.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 5' ' ' GLY . . . -71.96 -54.9 8.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 6' ' ' VAL . 1.2 pp -64.07 -23.38 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -56.07 -50.58 70.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 110.312 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -82.47 -53.22 6.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.373 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 m -46.3 -25.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.026 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -63.54 -40.38 96.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' LYS . 29.9 mt-10 -99.7 -30.45 12.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.71 -48.82 55.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -124.72 153.54 70.24 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.56 0.8 . . . . 0.0 109.583 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 56.64 4.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -101.07 -20.27 15.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.418 ' HD2' ' N ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -40.97 -44.63 2.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' N ' ' HD2' ' A' ' 20' ' ' ARG . . . -45.12 -65.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -44.08 -25.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.62 -55.52 4.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -62.14 -27.61 69.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -60.13 -48.74 80.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.571 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.1 mt-10 -57.03 -24.24 52.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.7 t -81.24 -42.63 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.29 -22.32 59.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.571 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -65.1 -30.17 49.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -64.18 -31.14 72.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.922 ' O ' HG12 ' A' ' 34' ' ' VAL . 3.4 pt-20 -56.37 -25.63 50.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.262 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -82.04 -23.04 36.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.175 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.472 ' CB ' ' HG3' ' A' ' 53' ' ' ARG . 4.0 mm? -75.51 -34.17 60.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.922 HG12 ' O ' ' A' ' 31' ' ' GLU . 7.4 p -61.33 -24.05 32.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.224 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -86.94 -13.75 43.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.256 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -26.09 38.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.646 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -56.2 -34.05 65.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.951 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.646 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -66.95 -37.49 84.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.967 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -83.43 -55.96 4.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.45 ' CB ' HG21 ' A' ' 49' ' ' ILE . 9.3 m -45.65 -27.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.499 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -49.07 -93.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.499 ' C ' ' O ' ' A' ' 41' ' ' ALA . 0.2 OUTLIER 32.74 42.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . 151.21 -79.67 0.2 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 0.5 OUTLIER 177.15 51.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.564 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 48' ' ' THR . 1.0 OUTLIER -110.24 -24.22 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.515 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 8.9 p30 -54.03 -31.63 51.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.471 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 12.8 p -77.56 -23.96 49.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 108.252 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' VAL . 23.6 m -86.81 -40.18 15.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.376 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.536 HD11 ' CB ' ' A' ' 37' ' ' TYR . 1.9 pp -71.28 -40.91 74.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.525 ' HZ2' HG23 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -50.59 -58.16 6.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -19.11 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.48 -32.32 13.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.472 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -73.81 -68.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 0.0 110.352 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.53 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 7.6 tpm_? -94.3 -45.96 7.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.53 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER 90.13 24.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -160.74 -42.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.508 ' CD2' ' C ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -45.68 -61.06 1.86 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 59' ' ' ASP . 68.5 t 64.03 105.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.456 ' CB ' ' OD1' ' A' ' 46' ' ' ASN . 26.8 t0 40.84 91.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.415 1.072 . . . . 0.0 109.277 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.579 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.38 1.05 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.6 pt -91.06 41.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -94.06 -39.35 10.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.32 -141.12 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 87.86 -17.58 44.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.01 -40.9 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.776 . . . . 0.0 109.259 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 pt -58.01 -25.12 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -61.61 -55.49 30.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.83 -50.2 65.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.3 mt -50.68 -23.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 15' ' ' GLU . 2.1 tt0 -70.21 -35.36 73.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -61.31 -37.72 84.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.91 -23.32 39.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.023 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -85.47 -24.99 27.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.8 mm-40 -99.55 -24.85 14.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.07 42.36 2.95 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.431 1.082 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 1.1 p80 -102.86 109.51 61.41 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.512 0.772 . . . . 0.0 109.594 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 162.64 36.64 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -47.1 -23.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -52.26 59.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.66 -24.81 67.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.371 1.044 . . . . 0.0 109.234 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -78.4 -27.27 46.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.65 -55.8 4.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.73 -27.47 63.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -60.54 -55.48 32.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -53.32 -25.48 15.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.408 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 41.6 t -81.42 -48.59 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.65 -23.14 66.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.29 -30.05 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 3.8 m -64.33 -26.15 68.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.032 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.408 ' OE2' ' O ' ' A' ' 27' ' ' VAL . 5.7 mm-40 -64.91 -25.22 67.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 36' ' ' LYS . 4.6 mt-10 -84.58 -23.24 29.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 30' ' ' SER . 2.4 mm? -59.23 -49.36 78.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.959 HG23 ' NZ ' ' A' ' 50' ' ' LYS . 9.8 p -68.49 -28.1 39.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -82.58 -18.39 41.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 110.278 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -76.7 -25.64 53.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.598 ' CD2' ' OD1' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -55.59 -29.93 59.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.073 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.412 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -70.1 -42.17 73.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.436 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -82.65 -25.56 32.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.157 . . . . 0.0 109.275 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.862 ' OG ' HG21 ' A' ' 49' ' ' ILE . 28.9 m -79.91 -27.69 39.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.456 ' CA ' ' HB3' ' A' ' 46' ' ' ASN . . . -51.04 -21.77 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -39.53 -66.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.494 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -112.37 63.45 0.28 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER 37.59 31.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.616 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.629 HG12 HG23 ' A' ' 49' ' ' ILE . 7.5 t -85.83 -25.71 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.598 ' OD1' ' CD2' ' A' ' 37' ' ' TYR . 1.0 OUTLIER -56.73 -18.22 11.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 59' ' ' ASP . 7.3 p -88.26 -27.64 21.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 108.318 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 55.3 m -84.65 -42.51 15.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.396 1.06 . . . . 0.0 110.416 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.862 HG21 ' OG ' ' A' ' 40' ' ' SER . 1.6 pp -62.25 -39.96 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.959 ' NZ ' HG23 ' A' ' 34' ' ' VAL . 2.5 tptp -60.23 -62.9 1.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -17.47 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -64.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.093 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.593 ' CZ ' ' CZ ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -85.02 -67.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.257 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.593 ' CZ ' ' CZ ' ' A' ' 53' ' ' ARG . 26.2 mmt180 -50.29 -51.54 44.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 62.66 13.41 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.404 ' O ' HG12 ' A' ' 58' ' ' VAL . 28.4 m-85 -145.04 -37.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.757 HD23 ' O ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -63.02 -46.45 87.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.474 HG12 ' C ' ' A' ' 57' ' ' LEU . 3.5 p 43.98 95.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.479 ' HB2' ' CB ' ' A' ' 47' ' ' CYS . 0.6 OUTLIER 43.12 93.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.757 ' O ' HD23 ' A' ' 57' ' ' LEU . 7.7 t0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 4' ' ' LYS . 28.3 mm 43.26 59.97 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 2' ' ' ILE . 0.3 OUTLIER 68.96 -59.15 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 2' ' ' ILE . 0.1 OUTLIER -87.13 -138.76 0.09 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 109.247 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.19 -16.6 38.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.507 HG12 ' CD1' ' A' ' 10' ' ' ILE . 63.1 t -117.75 -50.69 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.515 0.774 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.9 pt -62.9 -25.1 37.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -54.81 19.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.23 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -45.63 92.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.507 ' CD1' HG12 ' A' ' 6' ' ' VAL . 60.1 mt -54.13 -35.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' GLU . 2.1 mt-30 -60.09 -35.05 74.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.448 1.093 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -43.36 99.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -21.18 46.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.54 -25.37 26.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -99.66 -25.92 14.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.42 -22.25 44.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.415 1.072 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -87.08 166.0 28.6 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.531 0.783 . . . . 0.0 109.552 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.37 4.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -60.39 -18.43 50.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -46.67 86.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 17' ' ' HIS . . . -58.82 -42.18 88.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -49.6 -28.74 6.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -80.96 -56.59 4.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.61 1.193 . . . . 0.0 109.242 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -59.29 -27.58 65.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 29' ' ' ILE . 15.9 m -68.73 -56.15 9.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.599 1.187 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.2 -22.44 65.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 23' ' ' LEU . 52.2 t -79.28 -45.97 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.45 -19.9 55.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 25' ' ' SER . 6.6 mm -78.78 -23.97 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.0 p -68.83 -27.58 65.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.94 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.626 ' O ' HG12 ' A' ' 34' ' ' VAL . 12.5 mm-40 -60.65 -32.55 71.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -82.54 -23.43 34.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.461 ' CB ' ' HG3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -57.19 -45.76 83.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.679 HG23 ' NZ ' ' A' ' 50' ' ' LYS . 4.3 p -60.68 -27.31 40.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.33 -19.19 30.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.36 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -23.87 50.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.658 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -54.77 -42.68 72.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.658 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -55.52 -42.02 73.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.075 179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.84 -56.04 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.577 ' HB3' HG21 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -45.31 -28.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.509 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -49.27 -94.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.509 ' C ' ' O ' ' A' ' 41' ' ' ALA . 1.8 mt 31.39 61.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.61 -87.2 0.4 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.432 1.083 . . . . 0.0 111.052 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.569 ' CE1' ' SG ' ' A' ' 47' ' ' CYS . 6.4 t60 -169.28 96.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.78 . . . . 0.0 109.644 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.014 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -155.93 -39.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.487 ' HB3' ' O ' ' A' ' 37' ' ' TYR . 7.4 p30 -53.82 -20.03 5.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.569 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 10.7 p -80.58 -34.69 35.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 52.8 m -85.16 -31.51 23.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.014 HG23 ' O ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -66.31 -40.65 87.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.679 ' NZ ' HG23 ' A' ' 34' ' ' VAL . 3.7 mttm -70.47 -37.32 74.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.3 tt0 -58.62 -20.33 46.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.371 1.044 . . . . 0.0 110.27 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.81 -55.68 2.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.168 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.461 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -59.12 -69.58 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -81.76 -55.18 4.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.574 1.171 . . . . 0.0 110.363 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER 88.25 22.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.54 ' O ' HG12 ' A' ' 58' ' ' VAL . 10.0 m-85 -155.72 -42.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -46.07 -29.22 1.42 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.546 ' O ' HG13 ' A' ' 58' ' ' VAL . 13.1 p 33.69 67.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.468 ' CB ' ' OD1' ' A' ' 46' ' ' ASN . 0.0 OUTLIER 63.6 107.96 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.576 ' HA ' HD12 ' A' ' 57' ' ' LEU . 12.4 t70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -124.02 -99.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.204 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 67.36 -64.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 2' ' ' ILE . 0.3 OUTLIER -97.05 -140.79 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.369 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.452 ' O ' ' CB ' ' A' ' 9' ' ' ALA . . . 84.68 1.96 88.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.904 ' O ' HG23 ' A' ' 10' ' ' ILE . 14.9 p -113.83 -54.71 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.422 0.719 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.553 ' N ' HG13 ' A' ' 6' ' ' VAL . 2.0 pt -51.98 -26.09 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -97.29 -44.99 6.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 5' ' ' GLY . . . -60.68 -34.46 74.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.904 HG23 ' O ' ' A' ' 6' ' ' VAL . 4.0 pt -79.09 -23.33 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 14' ' ' ASP . 4.0 mm100 -68.6 -49.37 59.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.6 mptp? -47.06 -49.36 21.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.605 1.19 . . . . 0.0 109.356 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.84 -28.77 62.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.051 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.9 m-20 -85.75 -26.66 25.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.44 -69.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . -42.95 -77.92 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -68.34 162.95 57.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.635 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 96.05 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.548 1.815 . . . . 0.0 111.055 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -56.86 -31.38 64.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -42.87 -54.34 4.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.87 -59.42 2.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -37.76 -33.54 0.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.509 1.13 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -80.92 -56.76 3.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.12 -27.41 45.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -76.41 -55.88 5.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.32 -24.36 66.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 23' ' ' LEU . 40.7 t -73.92 -57.7 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 109.243 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.71 -24.48 57.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 29' ' ' ILE . 19.7 mm -82.59 -24.12 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.422 ' HB2' ' NE ' ' A' ' 53' ' ' ARG . 15.9 p -73.1 -33.86 65.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.022 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.498 ' OE2' ' CG2' ' A' ' 34' ' ' VAL . 8.4 tp10 -51.9 -25.14 7.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -76.44 -30.91 57.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -65.28 -49.24 70.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.596 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 16.2 m -63.91 -23.37 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -87.21 -37.1 17.57 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -67.52 -24.62 65.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.988 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -55.46 -24.82 33.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.988 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.62 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 44.1 t -79.48 -38.53 34.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.943 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.57 -57.72 3.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' LYS . 9.9 p -54.31 -27.53 36.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.151 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.988 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -47.92 -91.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 73.37 -56.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.463 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -171.91 65.78 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.716 ' O ' HG23 ' A' ' 45' ' ' VAL . 1.6 t-80 84.56 91.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 109.595 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 44' ' ' HIS . 29.5 t -160.73 -42.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.252 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.485 ' CB ' ' HB2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -54.08 -33.68 58.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.351 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.8 p -63.66 -24.69 67.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 108.272 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.1 m -85.37 -45.76 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.392 1.058 . . . . 0.0 110.405 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 33' ' ' LEU . 1.5 pp -71.26 -37.47 66.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.558 ' HE3' ' CD2' ' A' ' 37' ' ' TYR . 7.8 mttt -64.91 -59.07 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' O ' HD23 ' A' ' 55' ' ' LEU . 8.3 pt-20 -55.48 -17.2 4.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -52.16 16.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.505 ' HD3' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -90.85 -69.17 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.733 ' HG2' HD23 ' A' ' 57' ' ' LEU . 3.1 tpt180 -55.72 -52.96 62.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.418 ' CD1' ' O ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER 79.06 4.41 2.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -140.14 -43.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.733 HD23 ' HG2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -40.0 -61.05 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 58' ' ' VAL . 54.8 t 53.14 77.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 10.6 t0 60.27 100.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.473 ' HB3' ' CD1' ' A' ' 57' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.632 HD12 ' N ' ' A' ' 2' ' ' ILE . 4.0 mp -97.3 47.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -93.84 -27.98 16.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 111.01 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.32 -140.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.16 48.35 32.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.53 1.143 . . . . 0.0 111.048 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.7 p -166.22 -46.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 0.772 . . . . 0.0 109.245 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 pt -74.48 -25.14 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.25 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -32.93 74.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.05 -46.39 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.8 mt -51.84 -44.47 37.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.23 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -63.56 -26.32 68.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' GLU . 12.8 mttt -82.38 -64.28 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 17' ' ' HIS . 26.9 m -46.11 -25.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.968 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -63.2 -40.71 98.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 12' ' ' LYS . 3.5 mt-10 -99.76 -28.52 13.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.191 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.83 55.23 0.63 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.403 ' CB ' ' O ' ' A' ' 13' ' ' SER . 0.1 OUTLIER 178.07 97.37 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 109.646 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -45.58 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -55.13 -17.89 4.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -76.1 -38.8 56.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.3 -22.3 61.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -73.46 -29.69 62.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.61 -54.48 5.62 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -27.52 62.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.343 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -62.26 -50.87 70.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.452 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.9 tm-20 -56.23 -23.74 37.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.078 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.9 t -81.25 -40.9 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.73 -24.04 59.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.488 HD13 ' HG2' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -76.57 -30.53 19.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m -66.0 -34.91 79.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.002 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.581 ' O ' HG12 ' A' ' 34' ' ' VAL . 20.6 tp10 -53.11 -25.45 13.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' HG2' HD13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -80.36 -25.6 39.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.438 ' CB ' ' HG3' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -63.17 -48.08 79.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 31' ' ' GLU . 9.3 p -60.32 -21.24 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -80.04 -39.72 29.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.361 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -61.73 -23.78 66.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.618 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -55.17 -36.35 65.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.618 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 36.3 t -61.28 -43.6 98.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.915 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.7 t30 -83.3 -23.93 32.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.366 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' LYS . 10.8 m -80.0 -30.3 39.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -51.46 -20.48 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.915 HD12 ' O ' ' A' ' 39' ' ' ASN . 0.7 OUTLIER -37.65 -58.19 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.635 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -129.81 66.78 0.57 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.107 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 44' ' ' HIS . 5.8 t-160 34.46 58.08 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.573 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.831 HG12 HG23 ' A' ' 49' ' ' ILE . 63.7 t -111.11 -24.24 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.512 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 1.5 p30 -55.45 -23.47 25.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.458 ' HB3' ' CD2' ' A' ' 44' ' ' HIS . 10.7 t -87.86 -27.73 22.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 108.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.523 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 17.2 m -84.68 -18.92 33.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.831 HG23 HG12 ' A' ' 45' ' ' VAL . 2.0 pp -94.04 -45.33 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.711 ' N ' HD12 ' A' ' 49' ' ' ILE . 0.7 OUTLIER -66.66 -30.79 71.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.696 ' O ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -44.56 -28.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.457 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -95.56 -29.74 14.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -73.96 -72.15 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.609 1.193 . . . . 0.0 110.331 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.55 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -96.04 -55.83 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER 91.33 25.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.691 ' N ' ' HZ2' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -153.42 -37.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -38.82 -29.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 0.0 109.335 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.527 ' O ' HG13 ' A' ' 58' ' ' VAL . 15.0 p 36.16 63.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 58' ' ' VAL . 5.8 t70 80.09 -54.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.511 ' HA ' HD12 ' A' ' 57' ' ' LEU . 15.1 t70 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.537 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 17.6 pt -74.92 -35.89 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.537 ' CD2' ' O ' ' A' ' 2' ' ' ILE . 0.8 OUTLIER -172.58 -38.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.88 -100.24 0.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.25 49.39 50.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.427 1.079 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.59 HG13 HD12 ' A' ' 7' ' ' ILE . 7.6 p -163.92 -48.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.59 HD12 HG13 ' A' ' 6' ' ' VAL . 2.7 mp -85.12 -25.19 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.73 -56.29 16.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.88 79.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.261 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.574 HG23 ' OE1' ' A' ' 24' ' ' GLU . 97.4 mt -55.47 -24.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -77.31 -28.41 53.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -31.04 49.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 p -81.37 -24.23 37.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.031 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.27 -26.04 33.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.212 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -99.64 -25.01 14.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.94 -46.24 77.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.566 1.166 . . . . 0.0 111.063 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -158.38 155.84 26.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.546 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -68.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.536 1.808 . . . . 0.0 110.973 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.83 -25.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -55.42 -49.29 72.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' GLU . . . -48.61 -56.69 7.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -39.92 -28.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.172 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -79.9 -50.2 10.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.619 1.199 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.574 ' OE1' HG23 ' A' ' 10' ' ' ILE . 6.6 tt0 -67.87 -27.51 66.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.262 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 t -62.74 -56.14 20.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.046 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -52.95 -22.53 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.4 t -81.35 -53.34 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.07 -32.83 74.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.685 HD13 ' CD ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -68.68 -30.96 48.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.379 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 65.9 m -68.31 -34.71 76.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.03 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.422 ' O ' HG12 ' A' ' 34' ' ' VAL . 9.1 tp10 -52.77 -24.2 8.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.234 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.685 ' CD ' HD13 ' A' ' 29' ' ' ILE . 2.2 pt-20 -81.09 -24.09 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.857 HD13 ' HG3' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -69.52 -49.17 57.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.463 ' HA ' ' CD ' ' A' ' 50' ' ' LYS . 9.9 p -62.57 -18.62 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.67 -19.04 36.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -80.27 -25.29 39.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -55.58 -23.4 26.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 111.039 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.14 -42.22 26.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.604 1.19 . . . . 0.0 110.029 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.592 ' O ' HD23 ' A' ' 42' ' ' LEU . 2.3 t30 -83.34 -56.65 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 36' ' ' LYS . 5.1 t -45.66 -27.0 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.03 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.468 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -48.1 -92.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.831 ' O ' HD12 ' A' ' 42' ' ' LEU . 3.5 pp 34.17 39.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 109.319 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ALA . . . 142.97 -82.46 0.22 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.407 ' HB3' ' O ' ' A' ' 43' ' ' GLY . 0.5 OUTLIER -178.91 56.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.578 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.429 ' HB ' ' O ' ' A' ' 40' ' ' SER . 0.9 OUTLIER -111.09 -26.44 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.117 . . . . 0.0 109.217 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.543 ' CB ' ' HA ' ' A' ' 37' ' ' TYR . 7.5 p-10 -56.02 -33.02 64.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 6.8 p -70.95 -20.53 62.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.3 m -82.84 -31.83 27.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 110.369 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.891 HD12 ' N ' ' A' ' 50' ' ' LYS . 1.9 pp -92.42 -49.03 13.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.891 ' N ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -56.43 -44.88 80.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.564 ' O ' HD22 ' A' ' 55' ' ' LEU . 32.8 tt0 -67.01 -15.4 63.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 110.364 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.83 -29.74 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.857 ' HG3' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -91.28 -68.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.477 ' N ' ' HD3' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -67.1 -50.13 62.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.564 HD22 ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER 83.35 0.83 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.405 ' O ' HG23 ' A' ' 58' ' ' VAL . 3.3 t80 -135.57 -41.81 0.7 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -45.7 -37.08 5.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' LEU . 95.6 t 38.91 72.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.525 ' CG ' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER 74.62 -54.97 0.66 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.605 ' O ' HD13 ' A' ' 57' ' ' LEU . 58.9 t0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.622 ' O ' HG22 ' A' ' 2' ' ' ILE . 9.8 mm -119.72 38.04 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.42 -43.63 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -100.02 -141.02 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.65 -14.8 54.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.122 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.411 HG22 ' CD1' ' A' ' 10' ' ' ILE . 9.3 p -107.0 -30.07 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.5 mt -66.94 -25.1 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -52.49 28.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.27 79.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.239 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.411 ' CD1' HG22 ' A' ' 6' ' ' VAL . 89.4 mt -51.51 -23.29 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -82.43 -41.62 19.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.267 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -61.76 -38.2 87.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.1 m -78.91 -22.74 45.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.17 . . . . 0.0 110.053 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -83.2 -28.68 29.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -98.2 -25.04 15.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . 39.67 81.11 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -84.04 156.67 63.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.604 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -70.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.516 1.798 . . . . 0.0 111.05 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -91.85 -50.61 5.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -45.68 -32.24 2.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.96 -58.97 5.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -46.1 -30.77 2.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 23' ' ' LEU . 11.4 tp -80.85 -52.39 7.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -27.53 62.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -59.29 -55.7 31.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.4 mt-10 -57.26 -23.38 47.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.4 t -81.25 -43.97 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.69 -29.05 63.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -70.02 -31.05 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.8 p -77.59 -37.99 49.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' O ' HG12 ' A' ' 34' ' ' VAL . 14.3 tp10 -52.82 -25.82 12.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -83.46 -24.98 31.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.416 ' CD1' ' HB ' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -67.44 -48.53 66.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.341 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.868 HG23 ' HE2' ' A' ' 50' ' ' LYS . 9.8 p -61.77 -19.31 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.36 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -81.5 -24.33 36.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.635 ' HB3' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -80.36 -24.94 39.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.969 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -55.36 -24.9 31.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.151 . . . . 0.0 111.057 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 t -81.47 -45.0 16.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.953 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.57 -57.48 3.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' LYS . 11.3 p -54.81 -27.75 44.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.066 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.969 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -51.3 -24.11 4.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -78.02 55.64 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 168.48 -81.55 0.1 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.099 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.511 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.3 OUTLIER 162.13 43.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 0.793 . . . . 0.0 109.584 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 40' ' ' SER . 2.2 t -113.6 -27.15 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.519 ' HA ' ' CG1' ' A' ' 49' ' ' ILE . 14.7 p-10 -55.71 -21.93 21.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.443 ' HB3' ' CB ' ' A' ' 59' ' ' ASP . 1.3 p -89.85 -26.28 20.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 108.301 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.88 -23.54 33.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.635 HD13 ' HB3' ' A' ' 36' ' ' LYS . 1.2 pt -92.27 -37.08 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.582 1.176 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.868 ' HE2' HG23 ' A' ' 34' ' ' VAL . 3.1 mmmt -75.2 -61.74 1.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.205 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 1.8 tt0 -45.08 -23.73 0.18 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.589 1.181 . . . . 0.0 110.319 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.6 tp -95.83 -57.86 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.552 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -59.95 -70.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.552 ' N ' ' CD ' ' A' ' 53' ' ' ARG . 18.4 ttt180 -79.26 -55.28 5.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.537 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER 90.97 15.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -134.46 -41.92 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -82.61 53.86 2.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 52.3 t -64.75 73.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER 80.69 -52.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.511 ' HB2' HD13 ' A' ' 57' ' ' LEU . 4.7 t0 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 mm 40.67 68.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -168.52 -40.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 111.034 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -82.51 60.0 4.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.39 56.92 0.7 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.507 1.13 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -150.73 -47.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.553 0.796 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.1 -25.16 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' O ' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -67.87 -46.16 72.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.24 83.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.0 mm -59.75 -23.12 25.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -83.52 -34.44 25.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.346 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -82.18 -59.74 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.8 t -45.97 -25.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.027 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' A' ' 12' ' ' LYS . 26.3 t0 -63.25 -40.68 98.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LYS . 34.4 mt-10 -99.84 -30.69 11.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.418 1.074 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 38.14 75.87 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.684 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 4.0 m80 -63.39 159.92 46.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.439 0.729 . . . . 0.0 109.593 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -69.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 111.045 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -70.94 -55.79 7.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.11 -43.98 3.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -50.28 -66.03 0.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -41.57 -28.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -56.68 3.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -27.72 57.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 t -60.72 -56.25 23.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.36 -21.52 25.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.412 1.07 . . . . 0.0 110.268 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.1 t -81.38 -47.57 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.87 -30.87 67.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -67.66 -31.3 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.441 ' OG ' ' NH1' ' A' ' 53' ' ' ARG . 20.4 p -76.71 -36.93 56.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.553 ' O ' HG12 ' A' ' 34' ' ' VAL . 7.3 tp10 -52.75 -25.69 11.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -31.17 28.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.721 HD13 ' HB2' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -55.68 -47.9 75.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 31' ' ' GLU . 10.6 p -60.73 -22.15 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -86.74 -22.97 25.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -73.56 -24.38 60.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.663 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -55.31 -43.81 75.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.663 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -52.15 -42.64 63.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.963 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -83.81 -56.45 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.489 ' CB ' HG12 ' A' ' 49' ' ' ILE . 1.3 m -46.21 -26.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -48.3 -93.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 41' ' ' ALA . 27.3 mt 33.07 45.31 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.81 -81.84 0.21 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.34 38.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.572 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.534 ' CG1' HG23 ' A' ' 49' ' ' ILE . 2.5 t -97.95 -24.92 4.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.495 ' HB3' ' O ' ' A' ' 37' ' ' TYR . 13.1 p30 -54.21 -22.03 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.411 ' HB3' ' CG ' ' A' ' 59' ' ' ASP . 2.8 p -88.35 -27.08 21.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 108.293 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 45' ' ' VAL . 22.1 m -85.14 -19.39 31.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.455 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.886 HD12 ' N ' ' A' ' 50' ' ' LYS . 1.7 pp -89.56 -48.29 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.886 ' N ' HD12 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -63.91 -12.47 37.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.565 ' O ' HD12 ' A' ' 55' ' ' LEU . 9.3 tt0 -73.49 -22.45 60.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.17 -23.69 20.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.721 ' HB2' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -83.07 -67.73 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.551 ' N ' ' CD ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -93.28 -54.73 3.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER 85.53 30.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.945 ' O ' HG23 ' A' ' 58' ' ' VAL . 28.7 t80 -167.72 -39.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.651 HD23 ' CA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -38.85 -30.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 56' ' ' PHE . 69.2 t 53.84 83.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.434 ' HA ' ' OD1' ' A' ' 46' ' ' ASN . 0.3 OUTLIER 69.62 -60.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.345 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.651 ' CA ' HD23 ' A' ' 57' ' ' LEU . 16.9 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.491 HG23 HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.491 HD12 HG23 ' A' ' 6' ' ' VAL . 2.7 mp -85.34 -25.16 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -41.34 23.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -53.56 55.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.12 -24.62 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' ASP . 16.3 mt-30 -75.14 -55.88 5.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' GLU . 12.2 mtpp -44.82 -61.63 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.1 m -51.69 -24.65 5.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.051 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -85.66 -27.08 25.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.424 1.077 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LYS . 3.0 tt0 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -43.6 -26.06 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.47 -56.49 4.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.35 -27.66 64.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 t -54.18 -55.73 25.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.596 1.185 . . . . 0.0 110.056 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.449 ' O ' HG22 ' A' ' 29' ' ' ILE . 9.6 mt-10 -59.46 -23.24 62.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.3 t -81.4 -39.69 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.39 -25.18 50.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.449 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -71.83 -30.51 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.459 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 2.8 m -74.09 -31.76 62.95 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.45 1.094 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -52.06 -25.57 8.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -74.6 -39.03 62.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.12 -42.69 63.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.92 -22.0 25.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -86.14 -27.11 24.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.235 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.7 OUTLIER -73.27 -24.98 60.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.619 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -55.68 -33.18 63.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.619 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -65.11 -43.11 93.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 110.023 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.46 -25.58 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -80.14 -30.01 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.034 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -51.16 -21.64 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -40.44 -33.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . -148.98 61.59 0.43 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER 37.08 38.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.539 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.421 ' HB ' ' CB ' ' A' ' 40' ' ' SER . 11.9 t -86.47 -25.09 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.443 ' ND2' ' OD1' ' A' ' 59' ' ' ASP . 1.5 p30 -56.43 -41.09 75.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.38 1.05 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.51 ' HB2' HG13 ' A' ' 58' ' ' VAL . 6.5 p -70.62 -20.59 62.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 108.262 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.8 m -83.53 -37.63 22.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.715 HD12 ' N ' ' A' ' 50' ' ' LYS . 2.2 pp -83.29 -45.99 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.824 ' HD3' HD13 ' A' ' 57' ' ' LEU . 31.6 mttt -54.85 -44.74 74.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.965 ' O ' HD22 ' A' ' 55' ' ' LEU . 1.9 tm-20 -63.24 -17.4 62.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.81 -39.62 10.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.676 ' NH1' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -82.99 -67.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.242 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -73.74 -52.24 13.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.965 HD22 ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER 87.43 12.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -153.13 -43.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.944 HD23 ' O ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -40.91 -47.25 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.51 HG13 ' HB2' ' A' ' 47' ' ' CYS . 97.0 t 39.76 73.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 58' ' ' VAL . 12.4 t0 78.94 -55.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.224 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.944 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.2 t0 . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 7' ' ' ILE . 8.3 p . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.407 ' N ' HG13 ' A' ' 6' ' ' VAL . 34.2 mm -73.96 -25.35 20.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -65.14 -50.07 67.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.03 93.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -56.73 -63.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' GLU . 13.7 pt20 -57.91 -40.22 79.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -52.02 -50.57 61.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -77.6 -22.29 51.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.041 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -75.04 -31.12 61.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.8 pt-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 23' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -42.63 -26.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' A' ' 21' ' ' ALA . 1.2 mt -80.45 -56.52 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -59.07 -27.67 65.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.9 t -60.99 -56.23 23.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -55.41 -21.77 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.6 t -81.24 -52.45 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.369 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.466 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -66.07 -42.84 88.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -29.5 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.45 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 12.5 m -68.38 -29.7 68.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 0.0 110.029 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -57.11 -25.61 59.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -79.45 -22.98 43.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.488 HD12 ' HB ' ' A' ' 49' ' ' ILE . 2.4 mm? -72.0 -48.08 47.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.88 HG23 ' NZ ' ' A' ' 50' ' ' LYS . 5.8 p -64.01 -26.13 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -86.13 -19.94 29.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -77.71 -25.57 49.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.619 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -56.55 -33.16 65.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.619 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -64.7 -41.22 96.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -82.74 -27.1 31.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.423 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 1.0 OUTLIER -80.1 -27.46 39.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.991 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -50.66 -22.35 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.75 55.39 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 162.32 -81.51 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.529 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER 160.25 47.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 109.585 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.1 t -111.16 -27.13 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.496 ' HA ' ' CG1' ' A' ' 49' ' ' ILE . 10.0 p-10 -56.68 -18.67 13.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.456 ' HA ' ' N ' ' A' ' 59' ' ' ASP . 13.1 p -88.6 -26.18 22.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 108.272 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.0 m -84.65 -56.01 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.443 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.496 ' CG1' ' HA ' ' A' ' 46' ' ' ASN . 1.1 pp -46.8 -65.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.88 ' NZ ' HG23 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -48.31 -50.68 29.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.579 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -38.37 -32.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.237 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -94.92 -64.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' CG ' ' HB3' ' A' ' 30' ' ' SER . 0.0 OUTLIER -40.08 -68.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -94.42 -55.12 3.28 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 51' ' ' GLU . 0.6 OUTLIER 83.31 25.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -142.93 -44.52 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -67.11 -44.88 78.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.409 HG12 ' C ' ' A' ' 57' ' ' LEU . 2.4 p 40.62 89.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.358 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.456 ' N ' ' HA ' ' A' ' 47' ' ' CYS . 2.8 t0 53.55 99.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.564 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 30.5 t0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.4 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -86.14 -25.13 6.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -51.96 40.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -53.84 53.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.3 mm -57.63 -23.31 19.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -75.1 -35.21 61.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -38.41 72.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.189 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.4 t -71.02 -25.76 62.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.952 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -85.68 -24.76 26.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.391 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.243 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -79.28 -25.19 42.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -80.63 -55.67 4.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.253 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.7 -27.6 68.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -59.97 -56.26 23.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.3 -21.41 34.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.1 t -81.36 -45.64 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.228 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.9 -27.18 61.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -73.85 -31.02 29.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.419 ' HB3' ' NH1' ' A' ' 53' ' ' ARG . 43.6 m -78.17 -36.82 47.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 110.052 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' O ' HG12 ' A' ' 34' ' ' VAL . 34.8 tt0 -52.21 -25.53 9.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 110.243 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.444 ' CA ' ' OE1' ' A' ' 32' ' ' GLU . 2.1 tp10 -83.19 -24.11 32.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 2.2 mm? -68.14 -48.4 65.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 31' ' ' GLU . 1.5 p -60.57 -30.15 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -79.4 -26.39 41.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -25.97 61.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.723 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -58.61 -25.82 63.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.611 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 12.7 t -68.83 -45.09 72.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.872 ' O ' HD23 ' A' ' 42' ' ' LEU . 1.2 m-20 -83.41 -28.81 28.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.443 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 1.2 m -80.13 -27.01 39.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 110.031 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -54.2 -19.85 5.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.872 HD23 ' O ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -85.1 46.76 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.8 ' O ' HG23 ' A' ' 45' ' ' VAL . . . 158.82 40.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.566 1.166 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' GLY . 28.9 m170 35.57 35.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 109.609 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 43' ' ' GLY . 57.3 t -92.81 -27.75 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.376 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.504 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 4.8 p-10 -58.02 -29.79 65.6 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 11.4 p -80.07 -25.23 40.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 108.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.0 m -83.56 -26.95 29.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.476 ' CD1' ' HG2' ' A' ' 50' ' ' LYS . 1.9 pp -91.72 -36.67 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -74.88 -46.5 35.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.735 ' O ' HD12 ' A' ' 55' ' ' LEU . 11.8 tt0 -39.06 -31.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -94.98 -64.39 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.531 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -39.85 -69.27 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.531 ' N ' ' CD ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -94.88 -55.4 3.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER 88.34 23.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.71 -44.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.039 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' A' ' 60' ' ' ASP . 1.1 tm? -47.01 -43.62 19.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 60' ' ' ASP . 43.9 t 39.01 63.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER 68.26 -59.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.55 ' HB2' HD13 ' A' ' 57' ' ' LEU . 9.4 t70 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.658 ' O ' HG23 ' A' ' 10' ' ' ILE . 74.3 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.608 ' H ' HD12 ' A' ' 7' ' ' ILE . 4.5 mp -48.27 -25.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.21 -47.81 6.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.87 -46.19 88.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.658 HG23 ' O ' ' A' ' 6' ' ' VAL . 4.3 pt -67.06 -23.91 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -67.08 -46.6 73.8 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.446 1.091 . . . . 0.0 110.201 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -66.21 -38.42 87.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.5 t -68.7 -25.77 64.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.051 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -85.78 -27.31 25.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.245 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -43.59 -26.17 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 110.943 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.86 -56.6 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -27.62 66.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 t -63.15 -55.69 23.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.072 . . . . 0.0 110.049 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.49 ' O ' HG22 ' A' ' 29' ' ' ILE . 3.0 tt0 -55.53 -21.82 18.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.5 t -80.9 -45.3 21.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.165 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.5 -23.73 58.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.698 HD13 ' HG2' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -71.65 -30.45 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.409 ' O ' ' NH1' ' A' ' 53' ' ' ARG . 13.8 m -64.02 -32.9 74.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.727 ' O ' HG12 ' A' ' 34' ' ' VAL . 27.7 tt0 -56.0 -25.37 43.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.698 ' HG2' HD13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -82.62 -23.13 34.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.498 HD12 ' HB ' ' A' ' 49' ' ' ILE . 1.2 mm? -67.3 -40.55 86.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.727 HG12 ' O ' ' A' ' 31' ' ' GLU . 3.1 p -60.71 -24.57 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -33.22 20.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -60.98 -25.14 66.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.813 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -65.99 -26.09 67.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.619 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 34.2 t -72.02 -39.95 68.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.952 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -83.92 -36.65 23.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.7 p -75.51 -26.32 58.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.97 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.813 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -50.22 -22.32 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.06 55.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . 166.87 -80.65 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.422 1.076 . . . . 0.0 111.042 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 1.6 m-70 160.91 45.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.549 HG13 HG23 ' A' ' 49' ' ' ILE . 2.4 t -111.32 -27.62 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.511 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 7.9 p-10 -56.58 -23.38 40.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.7 p -88.79 -22.92 23.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.317 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.8 m -83.38 -47.02 11.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.37 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.549 HG23 HG13 ' A' ' 45' ' ' VAL . 15.7 pt -63.38 -48.02 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -47.63 -59.99 2.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.834 ' O ' HD23 ' A' ' 55' ' ' LEU . 4.8 tt0 -40.07 -27.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.456 ' N ' ' C ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -95.58 -59.51 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -55.93 -70.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.834 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -81.8 -55.28 4.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.834 HD23 ' O ' ' A' ' 51' ' ' GLU . 0.4 OUTLIER 88.59 23.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -169.19 -46.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.504 HD21 ' C ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -41.8 -38.53 1.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 41.3 t 41.81 89.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.359 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.45 ' OD1' ' ND2' ' A' ' 46' ' ' ASN . 3.3 t0 48.61 95.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.532 ' C ' ' CE2' ' A' ' 37' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 11' ' ' GLN . 1.1 pp -69.7 -25.09 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.95 -56.1 20.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -42.22 95.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.6 mt -69.96 -23.08 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.335 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 7' ' ' ILE . 23.7 tt0 -84.44 -56.91 3.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.118 . . . . 0.0 110.254 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -29.37 66.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.5 t -81.92 -20.96 37.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.036 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.68 -28.84 24.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -69.63 -33.5 72.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.22 -44.49 19.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -27.63 64.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 t -60.69 -52.37 65.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.546 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -54.73 -27.0 37.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.2 t -80.76 -46.8 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.393 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.66 -27.26 68.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 109.26 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -74.1 -32.53 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.422 1.076 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.471 ' HB2' ' CD ' ' A' ' 53' ' ' ARG . 59.9 p -72.48 -34.55 67.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.991 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -51.98 -25.27 7.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -77.15 -27.06 53.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.35 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.799 HD22 ' HB2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -74.17 -48.68 27.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.5 p -59.76 -22.55 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.81 -24.88 26.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -74.38 -24.13 59.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -55.25 -31.28 61.41 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.579 1.174 . . . . 0.0 111.02 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.62 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 12.9 t -67.62 -42.2 82.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.522 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.2 t30 -83.09 -26.72 30.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.412 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 3.9 m -80.06 -27.6 39.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.026 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' CA ' ' HB3' ' A' ' 46' ' ' ASN . . . -50.97 -20.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 39' ' ' ASN . 4.1 mt -37.64 -65.57 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.597 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -115.63 64.61 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 43' ' ' GLY . 26.1 m-70 37.46 34.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.67 HG12 HG23 ' A' ' 49' ' ' ILE . 15.1 t -90.81 -23.9 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.601 ' ND2' ' H ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -55.51 -41.74 73.51 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.601 ' H ' ' ND2' ' A' ' 46' ' ' ASN . 12.4 p -74.78 -22.25 58.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 108.23 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.2 m -83.1 -30.11 28.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 110.446 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.876 HD12 ' N ' ' A' ' 50' ' ' LYS . 2.0 pp -92.57 -49.11 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.876 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.0 tptp -41.59 -64.52 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.511 ' HB2' HD22 ' A' ' 55' ' ' LEU . 8.8 pt-20 -56.87 -27.46 60.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -65.15 -19.39 65.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.799 ' HB2' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -90.97 -69.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 6.3 tpm_? -92.27 -43.54 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.751 ' O ' HD13 ' A' ' 55' ' ' LEU . 1.4 tm? 83.72 39.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -155.34 -43.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.752 HD13 ' CE ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -54.35 -39.95 67.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.7 t 39.45 89.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.437 ' HA ' ' OD1' ' A' ' 46' ' ' ASN . 1.6 t70 68.03 106.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.568 ' C ' ' CE2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 7' ' ' ILE . 7.3 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.436 ' N ' HG13 ' A' ' 6' ' ' VAL . 5.6 mt -72.62 -25.18 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.13 -43.29 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.49 -47.71 66.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.256 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mm -54.49 -25.65 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -77.07 -17.47 58.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -81.55 -41.06 22.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.075 . . . . 0.0 109.353 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 t -81.18 -22.89 38.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -83.8 -33.17 25.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.08 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -72.07 -28.27 63.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.85 -55.49 4.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.11 -27.72 62.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -57.17 -56.17 25.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.581 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.7 mt-10 -54.03 -25.04 19.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t -81.37 -48.93 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.53 -22.84 66.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -68.28 -30.71 48.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 p -65.76 -28.59 69.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.947 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.658 ' O ' HG12 ' A' ' 34' ' ' VAL . 11.8 tp10 -59.3 -26.13 64.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -83.18 -30.43 27.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.472 ' CD1' ' HB ' ' A' ' 49' ' ' ILE . 0.7 OUTLIER -51.29 -48.44 62.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 31' ' ' GLU . 11.7 p -59.69 -27.74 38.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -80.63 -16.98 52.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 4.4 tttt -80.7 -23.59 39.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.655 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -54.14 -42.5 69.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 37' ' ' TYR . 23.4 t -56.42 -41.06 75.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.954 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.679 ' O ' HD23 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -82.64 -56.36 3.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.078 . . . . 0.0 109.268 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.453 ' CB ' ' HB ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -52.45 -33.41 44.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.01 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -50.69 -22.38 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 39' ' ' ASN . 4.1 pp -45.63 -26.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -149.39 60.55 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER 36.36 34.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.598 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 43' ' ' GLY . 9.1 t -87.49 -23.59 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 5.7 p-10 -55.07 -50.37 69.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.678 ' HB2' HG13 ' A' ' 58' ' ' VAL . 6.9 p -67.76 -20.54 65.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 108.294 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 m -77.82 -29.94 50.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.472 ' HB ' ' CD1' ' A' ' 33' ' ' LEU . 27.6 pt -91.35 -43.48 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.554 ' NZ ' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -59.84 -58.56 8.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.603 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -39.12 -29.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -94.83 -65.01 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -43.63 -70.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.42 ' HD2' ' NH2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -87.42 -55.17 3.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.603 HD12 ' O ' ' A' ' 51' ' ' GLU . 0.5 OUTLIER 80.48 30.76 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.222 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.69 -44.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.103 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -47.51 74.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.678 HG13 ' HB2' ' A' ' 47' ' ' CYS . 69.7 t 46.54 91.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.453 ' CB ' ' ND2' ' A' ' 46' ' ' ASN . 1.1 t0 61.8 100.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.551 ' C ' ' CZ ' ' A' ' 37' ' ' TYR . 44.6 t0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.3 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.11 -25.16 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -62.45 -51.28 68.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.22 -47.2 52.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.6 mm -54.83 -23.28 11.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -90.64 -49.33 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.185 . . . . 0.0 110.311 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.21 -31.57 71.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.4 m -79.77 -23.73 42.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.969 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -77.07 -31.3 55.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.232 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -55.22 -26.48 39.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.74 -56.77 3.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -62.17 -27.58 69.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 m -69.97 -34.38 73.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.858 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.4 tt0 -64.55 -24.2 67.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.5 t -80.9 -56.15 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 31' ' ' GLU . . . -51.9 -40.11 60.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.858 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -51.22 -25.78 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.423 ' HB2' ' NH2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -71.08 -29.6 65.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.038 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.471 ' O ' HG12 ' A' ' 34' ' ' VAL . 35.5 tt0 -56.84 -25.09 55.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 35' ' ' GLN . 3.9 tt0 -79.82 -33.72 40.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.492 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -48.98 -48.03 43.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.223 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.556 HG23 ' HE2' ' A' ' 50' ' ' LYS . 6.3 p -65.99 -25.9 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' GLU . 25.8 mt-30 -81.09 -21.63 39.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -74.94 -25.99 59.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.644 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -59.15 -24.43 63.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -47.91 53.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.989 ' O ' HD23 ' A' ' 42' ' ' LEU . 8.0 m120 -82.07 -26.17 33.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.654 ' OG ' HG21 ' A' ' 49' ' ' ILE . 17.9 m -79.68 -26.59 40.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -68.47 -6.47 25.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.989 HD23 ' O ' ' A' ' 39' ' ' ASN . 4.3 pp -38.2 -55.3 1.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.742 ' N ' HD12 ' A' ' 42' ' ' LEU . . . -114.26 -52.76 0.44 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.411 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 168.34 41.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 0.721 . . . . 0.0 109.581 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.726 HG12 HG23 ' A' ' 49' ' ' ILE . 13.0 t -100.31 -24.83 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.605 ' OD1' ' CD2' ' A' ' 37' ' ' TYR . 1.1 p30 -55.73 -23.61 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.5 p -82.02 -29.68 31.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.338 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.5 m -85.5 -32.0 22.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.726 HG23 HG12 ' A' ' 45' ' ' VAL . 1.2 pp -79.81 -37.89 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.932 ' HD2' HD22 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -56.53 -59.55 4.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.499 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -58.41 -23.38 57.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 49' ' ' ILE . 4.2 tp -43.01 -65.2 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.566 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -92.4 -68.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.667 ' HD3' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -46.79 -46.38 20.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 110.366 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.596 ' O ' HD13 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 62.19 14.05 6.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -143.12 -42.8 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.96 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.932 HD22 ' HD2' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -39.35 -48.76 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.405 ' C ' ' OD1' ' A' ' 59' ' ' ASP . 76.1 t 47.87 86.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER 44.94 92.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.584 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 54.7 t0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.43 ' CG1' HD12 ' A' ' 7' ' ' ILE . 8.3 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.43 HD12 ' CG1' ' A' ' 6' ' ' VAL . 1.5 mp -77.29 -25.1 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.372 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -67.67 -45.59 74.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.87 -48.45 63.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.1 mt -50.97 -23.37 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 15' ' ' GLU . 21.5 tt0 -87.75 -43.91 11.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -56.47 -34.86 67.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 t -80.1 -25.15 40.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.976 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -83.25 -26.32 30.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' GLN . 8.5 mt-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.239 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.09 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ALA . 14.7 tp -80.58 -56.07 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -58.77 -27.62 65.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' ILE . 30.2 t -65.13 -51.11 63.18 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.465 1.103 . . . . 0.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.453 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.2 tp10 -52.32 -26.28 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.402 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.1 t -81.39 -46.57 20.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.147 . . . . 0.0 109.339 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.11 -22.33 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -79.8 -30.28 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 9.2 m -63.12 -28.4 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 110.041 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.529 ' O ' HG12 ' A' ' 34' ' ' VAL . 5.4 mt-10 -61.35 -28.49 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -83.44 -25.72 30.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 29' ' ' ILE . 1.2 mm? -59.63 -47.57 85.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.624 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 8.4 p -64.03 -17.7 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? -87.07 -35.51 18.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -23.63 62.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -54.64 -23.94 19.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.609 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -78.96 -49.07 13.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.96 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -72.58 -53.0 13.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.2 p -50.93 -38.48 50.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.957 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -50.4 -22.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.617 1.198 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.53 ' C ' HD12 ' A' ' 42' ' ' LEU . 3.2 pp -47.73 -24.8 1.03 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.573 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -150.34 54.1 0.49 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.4 OUTLIER 39.03 30.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.592 0.819 . . . . 0.0 109.653 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 43' ' ' GLY . 94.6 t -82.41 -26.18 8.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 59' ' ' ASP . 15.8 p-10 -56.92 -39.52 74.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.425 1.078 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 46.4 t -62.96 -18.62 63.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 108.233 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.2 m -85.08 -46.33 11.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.72 HD12 ' HD2' ' A' ' 50' ' ' LYS . 2.3 pp -78.5 -42.64 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.914 ' HE2' HD22 ' A' ' 57' ' ' LEU . 24.4 mmmt -61.97 -55.37 30.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.722 ' HB2' HG12 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -56.13 -16.01 4.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.8 -64.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.499 ' NH2' ' NH2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -66.31 -69.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.69 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -66.1 -49.04 68.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER 65.48 11.82 7.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -138.38 -39.05 0.53 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 111.02 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.914 HD22 ' HE2' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -63.75 -50.1 70.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.722 HG12 ' HB2' ' A' ' 51' ' ' GLU . 9.0 m 43.43 92.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.465 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 5.6 p-10 44.91 91.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.0 t0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.953 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 mp -70.95 -25.47 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.49 -45.65 65.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.56 -45.83 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.3 mm -63.73 -24.71 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -71.81 -47.5 52.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -50.93 -38.87 52.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -81.61 -23.99 36.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.404 1.065 . . . . 0.0 110.049 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -79.18 -28.86 42.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -78.17 -25.88 47.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.057 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.658 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -80.68 -56.79 3.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.18 -27.7 67.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -65.71 -55.51 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.435 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -60.14 -21.38 61.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 23' ' ' LEU . 87.0 t -81.3 -41.02 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.33 -24.55 50.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -73.18 -30.53 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.374 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.6 m -76.75 -33.17 58.12 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.783 ' O ' HG12 ' A' ' 34' ' ' VAL . 36.6 tt0 -52.21 -25.84 10.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.346 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -81.83 -25.68 34.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.527 HD22 ' HB2' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -66.4 -43.39 85.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.783 HG12 ' O ' ' A' ' 31' ' ' GLU . 9.1 p -59.61 -24.13 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -86.56 -30.37 21.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -28.58 68.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.597 ' CD2' ' OD1' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -55.95 -28.41 56.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 111.012 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 40.3 t -68.61 -44.37 74.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -81.91 -27.99 33.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.429 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 4.1 m -79.83 -27.05 40.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -51.33 -21.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 41' ' ' ALA . 1.0 OUTLIER -38.5 -87.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -68.69 -64.41 3.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.509 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.5 OUTLIER 161.09 44.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.454 0.738 . . . . 0.0 109.59 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.555 HG12 HG23 ' A' ' 49' ' ' ILE . 1.9 t -100.03 -24.9 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.597 ' OD1' ' CD2' ' A' ' 37' ' ' TYR . 1.3 p30 -55.48 -22.61 21.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.2 p -89.28 -25.75 21.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 108.331 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 91.1 m -84.62 -37.2 21.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.555 HG23 HG12 ' A' ' 45' ' ' VAL . 1.1 pt -76.81 -13.61 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.543 ' CE ' ' HA ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -80.46 -62.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.235 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -54.91 -17.0 3.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.23 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.8 -35.25 15.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.527 ' HB2' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -90.57 -71.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.248 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.594 ' HD3' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -70.91 -48.15 55.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER 87.44 7.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.41 -43.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.594 HD13 ' HD3' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -39.51 -44.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' LEU . 60.6 t 38.34 85.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER 61.16 92.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.58 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 mp -69.26 -25.11 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -52.05 62.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.52 -53.14 56.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mm -53.92 -23.84 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.72 -29.26 65.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -72.31 -36.91 69.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.4 m -82.94 -23.93 33.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -83.55 -25.83 30.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -59.01 -25.83 64.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.76 -55.15 5.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -62.72 -27.56 69.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.404 1.065 . . . . 0.0 110.246 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 1.2 m -54.81 -50.28 68.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.612 1.195 . . . . 0.0 109.918 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.636 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.1 mt-10 -55.13 -27.08 42.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.23 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.32 -48.38 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.31 -22.66 67.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -68.37 -31.04 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.45 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 1.1 m -72.2 -26.94 62.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' HG12 ' A' ' 34' ' ' VAL . 8.3 tp10 -60.92 -26.64 67.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.304 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -83.39 -31.38 26.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -50.97 -47.16 61.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.651 HG23 ' HZ1' ' A' ' 50' ' ' LYS . 3.5 p -62.43 -24.32 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.402 1.064 . . . . 0.0 109.375 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.11 -19.16 51.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -80.18 -25.61 39.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.645 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -55.97 -23.94 35.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 111.04 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -78.77 -39.21 36.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.607 ' O ' HD12 ' A' ' 42' ' ' LEU . 3.5 t-20 -82.3 -31.87 29.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.513 ' OG ' ' CG1' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -79.95 -26.21 40.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -47.82 -22.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.346 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 39' ' ' ASN . 1.3 mt -75.14 55.32 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 109.286 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.923 ' O ' HG23 ' A' ' 45' ' ' VAL . . . 118.64 66.44 0.31 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.466 ' O ' ' O ' ' A' ' 40' ' ' SER . 21.7 m170 50.81 -134.18 1.62 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 0.746 . . . . 0.0 109.573 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.923 HG23 ' O ' ' A' ' 43' ' ' GLY . 5.2 t 70.46 -56.08 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.542 ' CB ' ' HA ' ' A' ' 37' ' ' TYR . 6.8 p30 -54.7 -20.11 7.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.577 1.173 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.464 ' HA ' ' N ' ' A' ' 59' ' ' ASP . 13.2 p -90.22 -26.78 19.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.238 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 45' ' ' VAL . 80.7 m -84.92 -44.69 12.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.519 HD12 ' N ' ' A' ' 50' ' ' LYS . 2.4 pp -61.9 -50.7 79.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.776 ' HE3' HD22 ' A' ' 57' ' ' LEU . 11.7 mttp -52.25 -54.79 26.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.988 ' O ' HD23 ' A' ' 55' ' ' LEU . 31.5 tt0 -58.67 -16.67 17.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.86 -36.49 12.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' CG ' ' HB3' ' A' ' 30' ' ' SER . 0.0 OUTLIER -89.85 -68.43 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.18 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' LYS . 6.8 tpt180 -72.23 -42.23 65.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.988 HD23 ' O ' ' A' ' 51' ' ' GLU . 2.2 mt 73.11 10.97 5.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -144.73 -43.89 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.776 HD22 ' HE3' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -49.24 -47.14 46.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.562 HG22 ' HB2' ' A' ' 51' ' ' GLU . 74.8 t 37.91 84.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.464 ' N ' ' HA ' ' A' ' 47' ' ' CYS . 7.7 t0 74.59 -56.32 0.64 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.761 ' C ' HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.551 HD13 ' H ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -81.51 -25.09 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.9 -42.24 58.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.13 -52.03 15.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.8 mt -53.41 -23.2 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.252 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 15' ' ' GLU . 2.3 mm-40 -77.07 -44.56 30.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -48.4 70.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.7 t -63.47 -27.44 69.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.594 1.184 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -85.8 -32.89 21.54 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.4 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -39.66 -28.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.6 mm? -80.72 -56.88 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -27.65 66.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.3 t -64.74 -50.74 65.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -22.2 63.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.0 t -81.34 -47.58 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.14 84.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -29.86 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 m -78.18 -35.9 48.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.566 ' O ' HG12 ' A' ' 34' ' ' VAL . 28.7 tt0 -52.02 -25.31 8.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.97 -27.36 33.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.32 -48.51 79.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 31' ' ' GLU . 11.5 p -60.08 -27.95 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.21 -30.62 34.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -23.4 64.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -54.62 -43.69 72.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.637 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -53.79 -40.45 66.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -83.35 -38.61 21.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.2 m -64.26 -33.45 75.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.547 ' HB2' ' ND2' ' A' ' 46' ' ' ASN . . . -50.69 -22.4 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.182 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.685 ' C ' HD12 ' A' ' 42' ' ' LEU . 1.2 pp -45.01 -26.71 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.599 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -152.64 56.46 0.44 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' GLY . 3.8 p-80 38.14 31.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.602 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 43' ' ' GLY . 99.0 t -83.43 -25.09 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.547 ' ND2' ' HB2' ' A' ' 41' ' ' ALA . 5.4 p30 -56.44 -19.05 13.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 58' ' ' VAL . 12.1 t -88.45 -26.5 22.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 108.349 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.1 m -84.99 -20.8 29.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.925 HD12 ' N ' ' A' ' 50' ' ' LYS . 1.9 pp -87.05 -48.57 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.925 ' N ' HD12 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -63.26 -27.2 69.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.706 ' O ' HD12 ' A' ' 55' ' ' LEU . 31.0 tt0 -39.34 -38.7 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -94.68 -64.45 1.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.868 HH22 HD22 ' A' ' 57' ' ' LEU . 4.9 tmm_? -36.13 -72.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.365 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.428 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -95.97 -56.15 2.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.354 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 51' ' ' GLU . 1.4 tt 82.57 21.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.45 ' C ' ' N ' ' A' ' 58' ' ' VAL . 0.5 OUTLIER -150.64 -44.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.868 HD22 HH22 ' A' ' 53' ' ' ARG . 0.2 OUTLIER -38.23 -32.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.711 ' O ' HG12 ' A' ' 58' ' ' VAL . 14.6 t 39.33 71.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.44 ' OD1' ' ND2' ' A' ' 46' ' ' ASN . 11.2 t0 70.29 -58.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' VAL . 9.5 t70 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.5 t . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.3 mm -65.01 -25.04 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -74.15 -49.9 21.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.26 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.9 65.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.0 mm -55.64 -23.33 14.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.243 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -65.21 -45.54 84.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -82.5 -55.31 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -47.5 -24.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.973 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -65.91 -38.31 88.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' LYS . 39.3 mt-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -69.64 -36.56 76.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.75 -43.06 20.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.213 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -28.26 69.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.9 p -66.42 -39.14 88.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.949 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -52.1 -22.25 3.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 31' ' ' GLU . 54.2 t -81.16 -54.98 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.72 -29.29 70.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 mp -76.76 -55.65 10.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 29.3 m -64.69 -26.63 68.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.541 ' O ' HG22 ' A' ' 34' ' ' VAL . 33.3 tt0 -61.62 -25.15 67.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -83.02 -23.61 33.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.64 ' CD1' HD13 ' A' ' 49' ' ' ILE . 3.8 mm? -64.11 -48.72 75.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.57 HG13 ' HE ' ' A' ' 53' ' ' ARG . 8.7 m -60.81 -19.45 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.415 1.072 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -79.85 -16.56 55.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.6 OUTLIER -80.33 -27.77 38.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 1.023 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.8 OUTLIER -54.74 -21.36 10.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 111.046 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.49 -50.31 10.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 110.003 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -83.15 -59.58 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 36' ' ' LYS . 41.9 t -48.51 -26.36 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.032 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 1.023 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -49.0 -88.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' ALA . 15.8 mt 36.23 35.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ALA . . . 137.7 -80.95 0.28 Allowed Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.412 ' HB3' ' O ' ' A' ' 43' ' ' GLY . 0.6 OUTLIER -178.26 48.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 0.818 . . . . 0.0 109.585 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 41' ' ' ALA . 1.3 t -92.66 -41.7 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.389 1.055 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.607 ' CB ' ' HA ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -58.54 -29.44 66.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.468 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 7.9 p -51.49 -25.12 5.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 108.31 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.8 m -85.03 -28.24 25.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.884 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -90.88 -14.03 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.49 ' HZ1' HG12 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -78.13 -58.46 3.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -56.75 -17.07 7.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.32 -36.04 16.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.57 ' HE ' HG13 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -90.66 -68.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.8 tpt85 -71.4 -51.68 22.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.242 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER 87.54 6.73 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -145.78 -44.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.579 HD13 ' C ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -43.82 -48.72 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.401 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 83.9 t 39.94 76.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.234 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.438 ' HB2' ' CB ' ' A' ' 47' ' ' CYS . 11.2 t0 75.07 -57.62 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.579 ' C ' HD13 ' A' ' 57' ' ' LEU . 8.3 t0 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.659 ' O ' HG23 ' A' ' 10' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.435 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 1.1 pt -70.15 -25.04 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.91 -36.36 12.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.96 -54.9 8.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 6' ' ' VAL . 1.2 pp -64.07 -23.38 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -56.07 -50.58 70.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 110.312 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -82.47 -53.22 6.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.373 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 m -46.3 -25.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.026 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -63.54 -40.38 96.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' LYS . 29.9 mt-10 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -44.08 -25.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.62 -55.52 4.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -62.14 -27.61 69.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -60.13 -48.74 80.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.571 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.1 mt-10 -57.03 -24.24 52.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.7 t -81.24 -42.63 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.29 -22.32 59.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.571 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -65.1 -30.17 49.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -64.18 -31.14 72.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.922 ' O ' HG12 ' A' ' 34' ' ' VAL . 3.4 pt-20 -56.37 -25.63 50.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.262 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -82.04 -23.04 36.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.175 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.472 ' CB ' ' HG3' ' A' ' 53' ' ' ARG . 4.0 mm? -75.51 -34.17 60.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.922 HG12 ' O ' ' A' ' 31' ' ' GLU . 7.4 p -61.33 -24.05 32.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.224 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -86.94 -13.75 43.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.256 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -26.09 38.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.646 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -56.2 -34.05 65.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.951 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.646 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -66.95 -37.49 84.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.967 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -83.43 -55.96 4.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.45 ' CB ' HG21 ' A' ' 49' ' ' ILE . 9.3 m -45.65 -27.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.499 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -49.07 -93.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.499 ' C ' ' O ' ' A' ' 41' ' ' ALA . 0.2 OUTLIER 32.74 42.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . 151.21 -79.67 0.2 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 0.5 OUTLIER 177.15 51.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.564 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 48' ' ' THR . 1.0 OUTLIER -110.24 -24.22 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.515 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 8.9 p30 -54.03 -31.63 51.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.471 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 12.8 p -77.56 -23.96 49.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 108.252 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' VAL . 23.6 m -86.81 -40.18 15.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.376 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.536 HD11 ' CB ' ' A' ' 37' ' ' TYR . 1.9 pp -71.28 -40.91 74.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.525 ' HZ2' HG23 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -50.59 -58.16 6.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -19.11 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.48 -32.32 13.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.472 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -73.81 -68.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 0.0 110.352 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.53 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 7.6 tpm_? -94.3 -45.96 7.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.53 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER 90.13 24.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -160.74 -42.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.508 ' CD2' ' C ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -45.68 -61.06 1.86 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 59' ' ' ASP . 68.5 t 64.03 105.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.456 ' CB ' ' OD1' ' A' ' 46' ' ' ASN . 26.8 t0 40.84 91.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.415 1.072 . . . . 0.0 109.277 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.579 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.38 1.05 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 pt -58.01 -25.12 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -61.61 -55.49 30.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.83 -50.2 65.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.3 mt -50.68 -23.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 15' ' ' GLU . 2.1 tt0 -70.21 -35.36 73.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -61.31 -37.72 84.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.91 -23.32 39.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.023 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -85.47 -24.99 27.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.8 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -78.4 -27.27 46.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.65 -55.8 4.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.73 -27.47 63.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -60.54 -55.48 32.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -53.32 -25.48 15.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.408 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 41.6 t -81.42 -48.59 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.65 -23.14 66.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.29 -30.05 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 3.8 m -64.33 -26.15 68.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.032 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.408 ' OE2' ' O ' ' A' ' 27' ' ' VAL . 5.7 mm-40 -64.91 -25.22 67.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 36' ' ' LYS . 4.6 mt-10 -84.58 -23.24 29.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 30' ' ' SER . 2.4 mm? -59.23 -49.36 78.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.959 HG23 ' NZ ' ' A' ' 50' ' ' LYS . 9.8 p -68.49 -28.1 39.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -82.58 -18.39 41.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 110.278 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -76.7 -25.64 53.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.598 ' CD2' ' OD1' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -55.59 -29.93 59.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.073 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.412 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -70.1 -42.17 73.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.436 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -82.65 -25.56 32.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.157 . . . . 0.0 109.275 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.862 ' OG ' HG21 ' A' ' 49' ' ' ILE . 28.9 m -79.91 -27.69 39.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.456 ' CA ' ' HB3' ' A' ' 46' ' ' ASN . . . -51.04 -21.77 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -39.53 -66.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.494 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -112.37 63.45 0.28 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER 37.59 31.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.616 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.629 HG12 HG23 ' A' ' 49' ' ' ILE . 7.5 t -85.83 -25.71 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.598 ' OD1' ' CD2' ' A' ' 37' ' ' TYR . 1.0 OUTLIER -56.73 -18.22 11.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 59' ' ' ASP . 7.3 p -88.26 -27.64 21.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 108.318 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 55.3 m -84.65 -42.51 15.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.396 1.06 . . . . 0.0 110.416 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.862 HG21 ' OG ' ' A' ' 40' ' ' SER . 1.6 pp -62.25 -39.96 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.959 ' NZ ' HG23 ' A' ' 34' ' ' VAL . 2.5 tptp -60.23 -62.9 1.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -17.47 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -64.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.093 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.593 ' CZ ' ' CZ ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -85.02 -67.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.257 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.593 ' CZ ' ' CZ ' ' A' ' 53' ' ' ARG . 26.2 mmt180 -50.29 -51.54 44.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 62.66 13.41 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.404 ' O ' HG12 ' A' ' 58' ' ' VAL . 28.4 m-85 -145.04 -37.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.757 HD23 ' O ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -63.02 -46.45 87.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.474 HG12 ' C ' ' A' ' 57' ' ' LEU . 3.5 p 43.98 95.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.479 ' HB2' ' CB ' ' A' ' 47' ' ' CYS . 0.6 OUTLIER 43.12 93.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.757 ' O ' HD23 ' A' ' 57' ' ' LEU . 7.7 t0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.507 HG12 ' CD1' ' A' ' 10' ' ' ILE . 63.1 t . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.9 pt -62.9 -25.1 37.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -54.81 19.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.23 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -45.63 92.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.507 ' CD1' HG12 ' A' ' 6' ' ' VAL . 60.1 mt -54.13 -35.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' GLU . 2.1 mt-30 -60.09 -35.05 74.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.448 1.093 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -43.36 99.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -21.18 46.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.54 -25.37 26.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -49.6 -28.74 6.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -80.96 -56.59 4.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.61 1.193 . . . . 0.0 109.242 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -59.29 -27.58 65.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 29' ' ' ILE . 15.9 m -68.73 -56.15 9.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.599 1.187 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.2 -22.44 65.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 23' ' ' LEU . 52.2 t -79.28 -45.97 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.45 -19.9 55.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 25' ' ' SER . 6.6 mm -78.78 -23.97 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.0 p -68.83 -27.58 65.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.94 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.626 ' O ' HG12 ' A' ' 34' ' ' VAL . 12.5 mm-40 -60.65 -32.55 71.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -82.54 -23.43 34.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.461 ' CB ' ' HG3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -57.19 -45.76 83.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.679 HG23 ' NZ ' ' A' ' 50' ' ' LYS . 4.3 p -60.68 -27.31 40.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.33 -19.19 30.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.36 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -23.87 50.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.658 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -54.77 -42.68 72.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.658 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -55.52 -42.02 73.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.075 179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.84 -56.04 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.577 ' HB3' HG21 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -45.31 -28.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.509 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -49.27 -94.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.509 ' C ' ' O ' ' A' ' 41' ' ' ALA . 1.8 mt 31.39 61.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.61 -87.2 0.4 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.432 1.083 . . . . 0.0 111.052 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.573 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 1.2 t-80 -169.28 96.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.78 . . . . 0.0 109.644 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.014 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -155.93 -39.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.487 ' HB3' ' O ' ' A' ' 37' ' ' TYR . 7.4 p30 -53.82 -20.03 5.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.573 ' SG ' ' CD2' ' A' ' 44' ' ' HIS . 10.7 p -80.58 -34.69 35.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 52.8 m -85.16 -31.51 23.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.014 HG23 ' O ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -66.31 -40.65 87.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.679 ' NZ ' HG23 ' A' ' 34' ' ' VAL . 3.7 mttm -70.47 -37.32 74.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.463 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.3 tt0 -58.62 -20.33 46.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.371 1.044 . . . . 0.0 110.27 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.81 -55.68 2.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.168 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.461 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -59.12 -69.58 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -81.76 -55.18 4.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.574 1.171 . . . . 0.0 110.363 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER 88.25 22.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.54 ' O ' HG12 ' A' ' 58' ' ' VAL . 10.0 m-85 -155.72 -42.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -46.07 -29.22 1.42 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 58' ' ' VAL . 13.1 p 33.69 67.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.468 ' CB ' ' OD1' ' A' ' 46' ' ' ASN . 0.0 OUTLIER 63.6 107.96 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.576 ' HA ' HD12 ' A' ' 57' ' ' LEU . 12.4 t70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.904 ' O ' HG23 ' A' ' 10' ' ' ILE . 14.9 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.553 ' N ' HG13 ' A' ' 6' ' ' VAL . 2.0 pt -51.98 -26.09 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -97.29 -44.99 6.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.68 -34.46 74.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.904 HG23 ' O ' ' A' ' 6' ' ' VAL . 4.0 pt -79.09 -23.33 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 14' ' ' ASP . 4.0 mm100 -68.6 -49.37 59.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -47.06 -49.36 21.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.605 1.19 . . . . 0.0 109.356 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.84 -28.77 62.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.051 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.9 m-20 -85.75 -26.66 25.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.264 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -37.76 -33.54 0.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.509 1.13 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -80.92 -56.76 3.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.12 -27.41 45.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -76.41 -55.88 5.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.32 -24.36 66.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 23' ' ' LEU . 40.7 t -73.92 -57.7 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 109.243 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.71 -24.48 57.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.441 ' HA ' HD13 ' A' ' 29' ' ' ILE . 19.7 mm -82.59 -24.12 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.422 ' HB2' ' NE ' ' A' ' 53' ' ' ARG . 15.9 p -73.1 -33.86 65.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.022 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.498 ' OE2' ' CG2' ' A' ' 34' ' ' VAL . 8.4 tp10 -51.9 -25.14 7.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -76.44 -30.91 57.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -65.28 -49.24 70.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.596 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 16.2 m -63.91 -23.37 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -87.21 -37.1 17.57 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -67.52 -24.62 65.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.988 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -55.46 -24.82 33.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.988 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.62 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 44.1 t -79.48 -38.53 34.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.943 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.57 -57.72 3.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' LYS . 9.9 p -54.31 -27.53 36.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.151 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.988 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -47.92 -91.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 73.37 -56.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.463 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -171.91 65.78 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.716 ' O ' HG23 ' A' ' 45' ' ' VAL . 1.4 t60 84.56 91.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 109.595 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 44' ' ' HIS . 29.5 t -160.73 -42.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.252 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.485 ' CB ' ' HB2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -54.08 -33.68 58.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.351 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.42 ' SG ' ' CD2' ' A' ' 44' ' ' HIS . 7.8 p -63.66 -24.69 67.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 108.272 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.1 m -85.37 -45.76 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.392 1.058 . . . . 0.0 110.405 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 33' ' ' LEU . 1.5 pp -71.26 -37.47 66.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.558 ' HE3' ' CD2' ' A' ' 37' ' ' TYR . 7.8 mttt -64.91 -59.07 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' O ' HD23 ' A' ' 55' ' ' LEU . 8.3 pt-20 -55.48 -17.2 4.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -52.16 16.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.505 ' HD3' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -90.85 -69.17 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.733 ' HG2' HD23 ' A' ' 57' ' ' LEU . 3.1 tpt180 -55.72 -52.96 62.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.418 ' CD1' ' O ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER 79.06 4.41 2.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -140.14 -43.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.733 HD23 ' HG2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -40.0 -61.05 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 58' ' ' VAL . 54.8 t 53.14 77.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 10.6 t0 60.27 100.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.473 ' HB3' ' CD1' ' A' ' 57' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 pt -74.48 -25.14 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.25 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -32.93 74.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.05 -46.39 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.8 mt -51.84 -44.47 37.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.23 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -63.56 -26.32 68.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' GLU . 12.8 mttt -82.38 -64.28 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.9 m -46.11 -25.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.968 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -63.2 -40.71 98.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 12' ' ' LYS . 3.5 mt-10 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.191 . . . . 0.0 110.258 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -73.46 -29.69 62.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.61 -54.48 5.62 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -27.52 62.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.343 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -62.26 -50.87 70.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.452 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.9 tm-20 -56.23 -23.74 37.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.078 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.9 t -81.25 -40.9 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.73 -24.04 59.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.488 HD13 ' HG2' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -76.57 -30.53 19.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m -66.0 -34.91 79.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.002 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.581 ' O ' HG12 ' A' ' 34' ' ' VAL . 20.6 tp10 -53.11 -25.45 13.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' HG2' HD13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -80.36 -25.6 39.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.438 ' CB ' ' HG3' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -63.17 -48.08 79.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 31' ' ' GLU . 9.3 p -60.32 -21.24 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -80.04 -39.72 29.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.361 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -61.73 -23.78 66.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.618 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -55.17 -36.35 65.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.618 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 36.3 t -61.28 -43.6 98.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.915 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.7 t30 -83.3 -23.93 32.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.366 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' LYS . 10.8 m -80.0 -30.3 39.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -51.46 -20.48 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.915 HD12 ' O ' ' A' ' 39' ' ' ASN . 0.7 OUTLIER -37.65 -58.19 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.635 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -129.81 66.78 0.57 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.107 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 44' ' ' HIS . 5.8 t-160 34.46 58.08 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.573 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.831 HG12 HG23 ' A' ' 49' ' ' ILE . 63.7 t -111.11 -24.24 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.512 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 1.5 p30 -55.45 -23.47 25.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.458 ' HB3' ' CD2' ' A' ' 44' ' ' HIS . 10.7 t -87.86 -27.73 22.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 108.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.523 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 17.2 m -84.68 -18.92 33.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.831 HG23 HG12 ' A' ' 45' ' ' VAL . 2.0 pp -94.04 -45.33 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.711 ' N ' HD12 ' A' ' 49' ' ' ILE . 0.7 OUTLIER -66.66 -30.79 71.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.696 ' O ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -44.56 -28.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.457 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -95.56 -29.74 14.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -73.96 -72.15 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.609 1.193 . . . . 0.0 110.331 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.55 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -96.04 -55.83 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER 91.33 25.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.691 ' N ' ' HZ2' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -153.42 -37.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -38.82 -29.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 0.0 109.335 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 58' ' ' VAL . 15.0 p 36.16 63.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 58' ' ' VAL . 5.8 t70 80.09 -54.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.511 ' HA ' HD12 ' A' ' 57' ' ' LEU . 15.1 t70 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.59 HG13 HD12 ' A' ' 7' ' ' ILE . 7.6 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.59 HD12 HG13 ' A' ' 6' ' ' VAL . 2.7 mp -85.12 -25.19 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.73 -56.29 16.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.88 79.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.261 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.574 HG23 ' OE1' ' A' ' 24' ' ' GLU . 97.4 mt -55.47 -24.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -77.31 -28.41 53.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -31.04 49.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 p -81.37 -24.23 37.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.031 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.27 -26.04 33.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.212 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -39.92 -28.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.172 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -79.9 -50.2 10.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.619 1.199 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.574 ' OE1' HG23 ' A' ' 10' ' ' ILE . 6.6 tt0 -67.87 -27.51 66.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.262 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 t -62.74 -56.14 20.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.046 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -52.95 -22.53 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.4 t -81.35 -53.34 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.07 -32.83 74.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.685 HD13 ' CD ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -68.68 -30.96 48.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.379 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 65.9 m -68.31 -34.71 76.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.03 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.422 ' O ' HG12 ' A' ' 34' ' ' VAL . 9.1 tp10 -52.77 -24.2 8.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.234 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.685 ' CD ' HD13 ' A' ' 29' ' ' ILE . 2.2 pt-20 -81.09 -24.09 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.857 HD13 ' HG3' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -69.52 -49.17 57.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.463 ' HA ' ' CD ' ' A' ' 50' ' ' LYS . 9.9 p -62.57 -18.62 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.67 -19.04 36.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -80.27 -25.29 39.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -55.58 -23.4 26.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 111.039 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.14 -42.22 26.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.604 1.19 . . . . 0.0 110.029 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.592 ' O ' HD23 ' A' ' 42' ' ' LEU . 2.3 t30 -83.34 -56.65 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 36' ' ' LYS . 5.1 t -45.66 -27.0 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.03 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.468 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -48.1 -92.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.831 ' O ' HD12 ' A' ' 42' ' ' LEU . 3.5 pp 34.17 39.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 109.319 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ALA . . . 142.97 -82.46 0.22 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.407 ' HB3' ' O ' ' A' ' 43' ' ' GLY . 0.5 OUTLIER -178.91 56.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.578 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.429 ' HB ' ' O ' ' A' ' 40' ' ' SER . 0.9 OUTLIER -111.09 -26.44 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.117 . . . . 0.0 109.217 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.543 ' CB ' ' HA ' ' A' ' 37' ' ' TYR . 7.5 p-10 -56.02 -33.02 64.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 6.8 p -70.95 -20.53 62.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.3 m -82.84 -31.83 27.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 110.369 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.891 HD12 ' N ' ' A' ' 50' ' ' LYS . 1.9 pp -92.42 -49.03 13.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.891 ' N ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -56.43 -44.88 80.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.564 ' O ' HD22 ' A' ' 55' ' ' LEU . 32.8 tt0 -67.01 -15.4 63.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 110.364 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.83 -29.74 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.857 ' HG3' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -91.28 -68.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.477 ' N ' ' HD3' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -67.1 -50.13 62.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.564 HD22 ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER 83.35 0.83 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.405 ' O ' HG23 ' A' ' 58' ' ' VAL . 3.3 t80 -135.57 -41.81 0.7 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -45.7 -37.08 5.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' LEU . 95.6 t 38.91 72.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.525 ' CG ' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER 74.62 -54.97 0.66 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.605 ' O ' HD13 ' A' ' 57' ' ' LEU . 58.9 t0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.411 HG22 ' CD1' ' A' ' 10' ' ' ILE . 9.3 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.5 mt -66.94 -25.1 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -52.49 28.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.27 79.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.239 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.411 ' CD1' HG22 ' A' ' 6' ' ' VAL . 89.4 mt -51.51 -23.29 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -82.43 -41.62 19.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.267 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -38.2 87.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.1 m -78.91 -22.74 45.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.17 . . . . 0.0 110.053 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -83.2 -28.68 29.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -46.1 -30.77 2.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 23' ' ' LEU . 11.4 tp -80.85 -52.39 7.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -27.53 62.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -59.29 -55.7 31.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.4 mt-10 -57.26 -23.38 47.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.4 t -81.25 -43.97 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.69 -29.05 63.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -70.02 -31.05 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.8 p -77.59 -37.99 49.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' O ' HG12 ' A' ' 34' ' ' VAL . 14.3 tp10 -52.82 -25.82 12.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -83.46 -24.98 31.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.416 ' CD1' ' HB ' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -67.44 -48.53 66.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.341 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.868 HG23 ' HE2' ' A' ' 50' ' ' LYS . 9.8 p -61.77 -19.31 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.36 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -81.5 -24.33 36.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.635 ' HB3' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -80.36 -24.94 39.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.969 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -55.36 -24.9 31.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.151 . . . . 0.0 111.057 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 t -81.47 -45.0 16.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.953 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.57 -57.48 3.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' LYS . 11.3 p -54.81 -27.75 44.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.066 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.969 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -51.3 -24.11 4.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -78.02 55.64 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 168.48 -81.55 0.1 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.099 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.511 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.3 OUTLIER 162.13 43.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 0.793 . . . . 0.0 109.584 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 40' ' ' SER . 2.2 t -113.6 -27.15 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.519 ' HA ' ' CG1' ' A' ' 49' ' ' ILE . 14.7 p-10 -55.71 -21.93 21.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.443 ' HB3' ' CB ' ' A' ' 59' ' ' ASP . 1.3 p -89.85 -26.28 20.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 108.301 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.88 -23.54 33.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.635 HD13 ' HB3' ' A' ' 36' ' ' LYS . 1.2 pt -92.27 -37.08 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.582 1.176 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.868 ' HE2' HG23 ' A' ' 34' ' ' VAL . 3.1 mmmt -75.2 -61.74 1.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.205 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.412 ' CB ' HG22 ' A' ' 58' ' ' VAL . 1.8 tt0 -45.08 -23.73 0.18 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.589 1.181 . . . . 0.0 110.319 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.6 tp -95.83 -57.86 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.552 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -59.95 -70.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.552 ' N ' ' CD ' ' A' ' 53' ' ' ARG . 18.4 ttt180 -79.26 -55.28 5.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.537 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER 90.97 15.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -134.46 -41.92 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -82.61 53.86 2.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 52.3 t -64.75 73.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER 80.69 -52.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.511 ' HB2' HD13 ' A' ' 57' ' ' LEU . 4.7 t0 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.1 -25.16 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.421 ' O ' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -67.87 -46.16 72.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.24 83.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.0 mm -59.75 -23.12 25.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -83.52 -34.44 25.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.346 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -82.18 -59.74 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.8 t -45.97 -25.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.027 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' A' ' 12' ' ' LYS . 26.3 t0 -63.25 -40.68 98.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LYS . 34.4 mt-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.418 1.074 . . . . 0.0 110.301 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -41.57 -28.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -56.68 3.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -27.72 57.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 t -60.72 -56.25 23.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.36 -21.52 25.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.412 1.07 . . . . 0.0 110.268 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.1 t -81.38 -47.57 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.87 -30.87 67.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -67.66 -31.3 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.441 ' OG ' ' NH1' ' A' ' 53' ' ' ARG . 20.4 p -76.71 -36.93 56.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.553 ' O ' HG12 ' A' ' 34' ' ' VAL . 7.3 tp10 -52.75 -25.69 11.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -31.17 28.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.721 HD13 ' HB2' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -55.68 -47.9 75.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 31' ' ' GLU . 10.6 p -60.73 -22.15 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -86.74 -22.97 25.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -73.56 -24.38 60.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.663 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -55.31 -43.81 75.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.663 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -52.15 -42.64 63.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.963 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -83.81 -56.45 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.489 ' CB ' HG12 ' A' ' 49' ' ' ILE . 1.3 m -46.21 -26.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -48.3 -93.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 41' ' ' ALA . 27.3 mt 33.07 45.31 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.81 -81.84 0.21 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.34 38.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.572 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.534 ' CG1' HG23 ' A' ' 49' ' ' ILE . 2.5 t -97.95 -24.92 4.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.495 ' HB3' ' O ' ' A' ' 37' ' ' TYR . 13.1 p30 -54.21 -22.03 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.411 ' HB3' ' CG ' ' A' ' 59' ' ' ASP . 2.8 p -88.35 -27.08 21.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 108.293 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 45' ' ' VAL . 22.1 m -85.14 -19.39 31.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.455 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.886 HD12 ' N ' ' A' ' 50' ' ' LYS . 1.7 pp -89.56 -48.29 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.886 ' N ' HD12 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -63.91 -12.47 37.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.565 ' O ' HD12 ' A' ' 55' ' ' LEU . 9.3 tt0 -73.49 -22.45 60.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.17 -23.69 20.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.721 ' HB2' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -83.07 -67.73 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.551 ' N ' ' CD ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -93.28 -54.73 3.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER 85.53 30.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.945 ' O ' HG23 ' A' ' 58' ' ' VAL . 28.7 t80 -167.72 -39.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.651 HD23 ' CA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -38.85 -30.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 56' ' ' PHE . 69.2 t 53.84 83.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.434 ' HA ' ' OD1' ' A' ' 46' ' ' ASN . 0.3 OUTLIER 69.62 -60.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.345 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.651 ' CA ' HD23 ' A' ' 57' ' ' LEU . 16.9 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.1 ttm-85 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.487 ' O ' HG22 ' A' ' 2' ' ' ILE . 5.0 mt 42.73 64.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.382 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -91.53 -24.46 19.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.77 58.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.083 . . . . 0.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.19 32.73 6.37 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.5 1.125 . . . . 0.0 111.064 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.491 HG23 HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -111.13 -40.89 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 109.362 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.491 HD12 HG23 ' A' ' 6' ' ' VAL . 2.7 mp -85.34 -25.16 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -41.34 23.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -53.56 55.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.12 -24.62 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' ASP . 16.3 mt-30 -75.14 -55.88 5.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' GLU . 12.2 mtpp -44.82 -61.63 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.1 m -51.69 -24.65 5.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.051 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -85.66 -27.08 25.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.424 1.077 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LYS . 3.0 tt0 -89.79 -62.23 1.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . -37.61 -66.74 0.53 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.91 158.01 6.42 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.777 . . . . 0.0 109.6 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -35.43 3.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.515 1.798 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -52.29 -20.34 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 mmt85 -61.34 -30.43 70.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.65 -70.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -43.6 -26.06 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.47 -56.49 4.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.35 -27.66 64.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 t -54.18 -55.73 25.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.596 1.185 . . . . 0.0 110.056 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' O ' HG22 ' A' ' 29' ' ' ILE . 9.6 mt-10 -59.46 -23.24 62.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.3 t -81.4 -39.69 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.39 -25.18 50.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.449 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -71.83 -30.51 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.459 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 2.8 m -74.09 -31.76 62.95 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.45 1.094 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -52.06 -25.57 8.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -74.6 -39.03 62.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.12 -42.69 63.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.92 -22.0 25.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -86.14 -27.11 24.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.235 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.7 OUTLIER -73.27 -24.98 60.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.619 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -55.68 -33.18 63.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.619 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -65.11 -43.11 93.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 110.023 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.46 -25.58 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -80.14 -30.01 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.034 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -51.16 -21.64 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -40.44 -33.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . -148.98 61.59 0.43 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER 37.08 38.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.539 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.421 ' HB ' ' CB ' ' A' ' 40' ' ' SER . 11.9 t -86.47 -25.09 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.443 ' ND2' ' OD1' ' A' ' 59' ' ' ASP . 1.5 p30 -56.43 -41.09 75.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.38 1.05 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.51 ' HB2' HG13 ' A' ' 58' ' ' VAL . 6.5 p -70.62 -20.59 62.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 108.262 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.8 m -83.53 -37.63 22.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.715 HD12 ' N ' ' A' ' 50' ' ' LYS . 2.2 pp -83.29 -45.99 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.824 ' HD3' HD13 ' A' ' 57' ' ' LEU . 31.6 mttt -54.85 -44.74 74.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.965 ' O ' HD22 ' A' ' 55' ' ' LEU . 1.9 tm-20 -63.24 -17.4 62.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.81 -39.62 10.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.676 ' NH1' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -82.99 -67.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.242 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -73.74 -52.24 13.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.965 HD22 ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER 87.43 12.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -153.13 -43.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.944 HD23 ' O ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -40.91 -47.25 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.51 HG13 ' HB2' ' A' ' 47' ' ' CYS . 97.0 t 39.76 73.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 58' ' ' VAL . 12.4 t0 78.94 -55.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.224 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.944 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.2 t0 . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.66 46.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -103.2 -24.6 13.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.27 -141.36 0.33 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 138.7 -18.69 3.19 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 7' ' ' ILE . 8.3 p -100.44 -46.04 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 0.806 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.407 ' N ' HG13 ' A' ' 6' ' ' VAL . 34.2 mm -73.96 -25.35 20.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -65.14 -50.07 67.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.03 93.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -56.73 -63.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' GLU . 13.7 pt20 -57.91 -40.22 79.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -52.02 -50.57 61.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -77.6 -22.29 51.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.041 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -75.04 -31.12 61.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.509 ' OE2' ' CE1' ' A' ' 17' ' ' HIS . 1.8 pt-20 -99.71 -31.52 11.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.422 ' N ' ' HG2' ' A' ' 15' ' ' GLU . . . 37.39 69.35 0.31 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.509 ' CE1' ' OE2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -114.79 97.44 47.28 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.445 0.732 . . . . 0.0 109.563 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -69.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -82.34 -33.74 28.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' CB ' ' HB2' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -47.28 -39.39 14.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.261 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 23' ' ' LEU . . . -43.24 -70.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -42.63 -26.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' A' ' 21' ' ' ALA . 1.2 mt -80.45 -56.52 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -59.07 -27.67 65.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.9 t -60.99 -56.23 23.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -55.41 -21.77 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.6 t -81.24 -52.45 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.369 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.466 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -66.07 -42.84 88.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -29.5 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.45 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 12.5 m -68.38 -29.7 68.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 0.0 110.029 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -57.11 -25.61 59.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -79.45 -22.98 43.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.488 HD12 ' HB ' ' A' ' 49' ' ' ILE . 2.4 mm? -72.0 -48.08 47.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.88 HG23 ' NZ ' ' A' ' 50' ' ' LYS . 5.8 p -64.01 -26.13 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -86.13 -19.94 29.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -77.71 -25.57 49.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.619 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -56.55 -33.16 65.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.619 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -64.7 -41.22 96.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -82.74 -27.1 31.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.423 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 1.0 OUTLIER -80.1 -27.46 39.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.991 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -50.66 -22.35 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.75 55.39 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 162.32 -81.51 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.529 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER 160.25 47.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 109.585 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.1 t -111.16 -27.13 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.496 ' HA ' ' CG1' ' A' ' 49' ' ' ILE . 10.0 p-10 -56.68 -18.67 13.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.456 ' HA ' ' N ' ' A' ' 59' ' ' ASP . 13.1 p -88.6 -26.18 22.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 108.272 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.0 m -84.65 -56.01 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.443 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.496 ' CG1' ' HA ' ' A' ' 46' ' ' ASN . 1.1 pp -46.8 -65.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.88 ' NZ ' HG23 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -48.31 -50.68 29.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.579 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -38.37 -32.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.237 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -94.92 -64.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' CG ' ' HB3' ' A' ' 30' ' ' SER . 0.0 OUTLIER -40.08 -68.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -94.42 -55.12 3.28 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 51' ' ' GLU . 0.6 OUTLIER 83.31 25.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -142.93 -44.52 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -67.11 -44.88 78.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.409 HG12 ' C ' ' A' ' 57' ' ' LEU . 2.4 p 40.62 89.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.358 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.456 ' N ' ' HA ' ' A' ' 47' ' ' CYS . 2.8 t0 53.55 99.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.564 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 30.5 t0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 mp 42.36 69.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.54 -27.19 14.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 0.0 111.077 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.18 -141.26 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.3 44.57 4.96 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.4 t -152.74 -53.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -86.14 -25.13 6.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -51.96 40.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -53.84 53.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.3 mm -57.63 -23.31 19.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -75.1 -35.21 61.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.56 ' HB3' ' CD2' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -71.17 -38.41 72.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.189 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.4 t -71.02 -25.76 62.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.952 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -85.68 -24.76 26.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.391 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -91.67 -37.28 13.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.243 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.22 107.38 0.23 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.722 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -113.99 97.47 45.12 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.487 0.757 . . . . 0.0 109.602 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 -34.96 3.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.484 1.781 . . . . 0.0 110.945 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -72.71 -68.61 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.5 mtt85 -50.4 -24.21 2.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -52.35 -32.27 37.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -79.28 -25.19 42.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -80.63 -55.67 4.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.253 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.7 -27.6 68.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -59.97 -56.26 23.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.3 -21.41 34.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.1 t -81.36 -45.64 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.228 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.9 -27.18 61.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -73.85 -31.02 29.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.419 ' HB3' ' NH1' ' A' ' 53' ' ' ARG . 43.6 m -78.17 -36.82 47.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 110.052 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' O ' HG12 ' A' ' 34' ' ' VAL . 34.8 tt0 -52.21 -25.53 9.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 110.243 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.444 ' CA ' ' OE1' ' A' ' 32' ' ' GLU . 2.1 tp10 -83.19 -24.11 32.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 2.2 mm? -68.14 -48.4 65.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 31' ' ' GLU . 1.5 p -60.57 -30.15 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -79.4 -26.39 41.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -25.97 61.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.723 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -58.61 -25.82 63.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.611 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 12.7 t -68.83 -45.09 72.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.872 ' O ' HD23 ' A' ' 42' ' ' LEU . 1.2 m-20 -83.41 -28.81 28.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.443 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 1.2 m -80.13 -27.01 39.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 110.031 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -54.2 -19.85 5.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.872 HD23 ' O ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -85.1 46.76 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.8 ' O ' HG23 ' A' ' 45' ' ' VAL . . . 158.82 40.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.566 1.166 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' GLY . 28.9 m170 35.57 35.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 109.609 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 43' ' ' GLY . 57.3 t -92.81 -27.75 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.376 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.504 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 4.8 p-10 -58.02 -29.79 65.6 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 11.4 p -80.07 -25.23 40.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 108.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.0 m -83.56 -26.95 29.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.476 ' CD1' ' HG2' ' A' ' 50' ' ' LYS . 1.9 pp -91.72 -36.67 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -74.88 -46.5 35.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.735 ' O ' HD12 ' A' ' 55' ' ' LEU . 11.8 tt0 -39.06 -31.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -94.98 -64.39 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.531 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -39.85 -69.27 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.531 ' N ' ' CD ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -94.88 -55.4 3.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER 88.34 23.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.71 -44.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.039 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' A' ' 60' ' ' ASP . 1.1 tm? -47.01 -43.62 19.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 60' ' ' ASP . 43.9 t 39.01 63.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER 68.26 -59.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.55 ' HB2' HD13 ' A' ' 57' ' ' LEU . 9.4 t70 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.527 ' O ' HG22 ' A' ' 2' ' ' ILE . 5.1 mt 41.76 66.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.625 1.203 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -108.85 -24.4 11.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -100.37 62.87 1.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.84 37.3 3.33 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.658 ' O ' HG23 ' A' ' 10' ' ' ILE . 74.3 t -123.62 -78.16 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 109.236 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.608 ' H ' HD12 ' A' ' 7' ' ' ILE . 4.5 mp -48.27 -25.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.21 -47.81 6.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.87 -46.19 88.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.658 HG23 ' O ' ' A' ' 6' ' ' VAL . 4.3 pt -67.06 -23.91 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -67.08 -46.6 73.8 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.446 1.091 . . . . 0.0 110.201 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -66.21 -38.42 87.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.5 t -68.7 -25.77 64.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.051 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -85.78 -27.31 25.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -87.11 -47.24 9.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.245 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.2 104.08 0.95 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.44 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 70.4 m-70 -110.39 159.28 32.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.617 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -60.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.419 1.747 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -96.85 -54.28 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -41.38 -35.18 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -56.23 -70.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -43.59 -26.17 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 110.943 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.86 -56.6 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -27.62 66.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 t -63.15 -55.69 23.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.072 . . . . 0.0 110.049 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.49 ' O ' HG22 ' A' ' 29' ' ' ILE . 3.0 tt0 -55.53 -21.82 18.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.5 t -80.9 -45.3 21.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.165 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.5 -23.73 58.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.698 HD13 ' HG2' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -71.65 -30.45 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.409 ' O ' ' NH1' ' A' ' 53' ' ' ARG . 13.8 m -64.02 -32.9 74.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.727 ' O ' HG12 ' A' ' 34' ' ' VAL . 27.7 tt0 -56.0 -25.37 43.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.698 ' HG2' HD13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -82.62 -23.13 34.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.498 HD12 ' HB ' ' A' ' 49' ' ' ILE . 1.2 mm? -67.3 -40.55 86.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.727 HG12 ' O ' ' A' ' 31' ' ' GLU . 3.1 p -60.71 -24.57 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -33.22 20.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -60.98 -25.14 66.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.813 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -65.99 -26.09 67.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.619 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 34.2 t -72.02 -39.95 68.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.952 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -83.92 -36.65 23.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.7 p -75.51 -26.32 58.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.97 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.813 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -50.22 -22.32 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.06 55.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . 166.87 -80.65 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.422 1.076 . . . . 0.0 111.042 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 1.6 m-70 160.91 45.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.549 HG13 HG23 ' A' ' 49' ' ' ILE . 2.4 t -111.32 -27.62 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.511 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 7.9 p-10 -56.58 -23.38 40.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.7 p -88.79 -22.92 23.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.317 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.8 m -83.38 -47.02 11.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.37 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.549 HG23 HG13 ' A' ' 45' ' ' VAL . 15.7 pt -63.38 -48.02 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -47.63 -59.99 2.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.834 ' O ' HD23 ' A' ' 55' ' ' LEU . 4.8 tt0 -40.07 -27.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.456 ' N ' ' C ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -95.58 -59.51 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -55.93 -70.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.834 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -81.8 -55.28 4.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.834 HD23 ' O ' ' A' ' 51' ' ' GLU . 0.4 OUTLIER 88.59 23.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -169.19 -46.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.504 HD21 ' C ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -41.8 -38.53 1.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 41.3 t 41.81 89.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.359 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' OD1' ' ND2' ' A' ' 46' ' ' ASN . 3.3 t0 48.61 95.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.532 ' C ' ' CE2' ' A' ' 37' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 mt -107.69 56.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -132.68 -43.11 0.91 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.15 -141.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 88.5 -16.56 53.04 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.531 1.145 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.7 p -122.63 -45.14 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.554 0.796 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 11' ' ' GLN . 1.1 pp -69.7 -25.09 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.95 -56.1 20.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -42.22 95.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.6 mt -69.96 -23.08 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.335 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 7' ' ' ILE . 23.7 tt0 -84.44 -56.91 3.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.118 . . . . 0.0 110.254 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -29.37 66.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.5 t -81.92 -20.96 37.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.036 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.68 -28.84 24.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -99.76 -24.72 14.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.71 87.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.412 ' CB ' ' HB2' ' A' ' 20' ' ' ARG . 2.4 m170 -111.11 161.64 24.22 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.569 0.805 . . . . 0.0 109.593 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -72.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.545 1.813 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -52.79 -19.68 2.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HB2' ' CB ' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -66.3 -42.83 87.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.3 -28.24 67.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -69.63 -33.5 72.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.22 -44.49 19.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -27.63 64.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 t -60.69 -52.37 65.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.546 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -54.73 -27.0 37.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.2 t -80.76 -46.8 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.393 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.66 -27.26 68.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 109.26 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -74.1 -32.53 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.422 1.076 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.471 ' HB2' ' CD ' ' A' ' 53' ' ' ARG . 59.9 p -72.48 -34.55 67.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.991 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -51.98 -25.27 7.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -77.15 -27.06 53.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.35 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.799 HD22 ' HB2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -74.17 -48.68 27.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.5 p -59.76 -22.55 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.81 -24.88 26.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -74.38 -24.13 59.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -55.25 -31.28 61.41 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.579 1.174 . . . . 0.0 111.02 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.62 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 12.9 t -67.62 -42.2 82.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.522 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.2 t30 -83.09 -26.72 30.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.412 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 3.9 m -80.06 -27.6 39.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.026 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' CA ' ' HB3' ' A' ' 46' ' ' ASN . . . -50.97 -20.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 39' ' ' ASN . 4.1 mt -37.64 -65.57 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.597 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -115.63 64.61 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 43' ' ' GLY . 26.1 m-70 37.46 34.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.67 HG12 HG23 ' A' ' 49' ' ' ILE . 15.1 t -90.81 -23.9 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.601 ' ND2' ' H ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -55.51 -41.74 73.51 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.601 ' H ' ' ND2' ' A' ' 46' ' ' ASN . 12.4 p -74.78 -22.25 58.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 108.23 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.2 m -83.1 -30.11 28.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 110.446 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.876 HD12 ' N ' ' A' ' 50' ' ' LYS . 2.0 pp -92.57 -49.11 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.876 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.0 tptp -41.59 -64.52 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.511 ' HB2' HD22 ' A' ' 55' ' ' LEU . 8.8 pt-20 -56.87 -27.46 60.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -65.15 -19.39 65.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.799 ' HB2' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -90.97 -69.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 6.3 tpm_? -92.27 -43.54 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.751 ' O ' HD13 ' A' ' 55' ' ' LEU . 1.4 tm? 83.72 39.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -155.34 -43.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.752 HD13 ' CE ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -54.35 -39.95 67.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.7 t 39.45 89.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.437 ' HA ' ' OD1' ' A' ' 46' ' ' ASN . 1.6 t70 68.03 106.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.568 ' C ' ' CE2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.404 ' O ' HG22 ' A' ' 2' ' ' ILE . 12.5 mm -123.66 51.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -97.44 -24.38 15.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.87 72.97 3.04 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -110.82 55.08 0.52 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 7' ' ' ILE . 7.3 p -149.09 -49.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.436 ' N ' HG13 ' A' ' 6' ' ' VAL . 5.6 mt -72.62 -25.18 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.13 -43.29 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.49 -47.71 66.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.256 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mm -54.49 -25.65 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -77.07 -17.47 58.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -81.55 -41.06 22.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.075 . . . . 0.0 109.353 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 t -81.18 -22.89 38.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -83.8 -33.17 25.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.08 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -99.45 -6.13 28.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -37.91 -44.55 1.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -152.43 97.44 2.95 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.555 0.797 . . . . 0.0 109.579 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.676 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 18.2 Cg_endo -74.95 160.47 40.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.562 1.822 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -105.77 -33.62 7.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.486 ' NH2' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -96.71 -30.11 13.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.233 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.676 ' HB3' ' HB2' ' A' ' 18' ' ' PRO . . . -75.13 -20.12 59.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -72.07 -28.27 63.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.85 -55.49 4.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.11 -27.72 62.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -57.17 -56.17 25.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.581 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.7 mt-10 -54.03 -25.04 19.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t -81.37 -48.93 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.53 -22.84 66.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -68.28 -30.71 48.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 p -65.76 -28.59 69.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.947 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.658 ' O ' HG12 ' A' ' 34' ' ' VAL . 11.8 tp10 -59.3 -26.13 64.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -83.18 -30.43 27.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.472 ' CD1' ' HB ' ' A' ' 49' ' ' ILE . 0.7 OUTLIER -51.29 -48.44 62.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 31' ' ' GLU . 11.7 p -59.69 -27.74 38.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -80.63 -16.98 52.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 4.4 tttt -80.7 -23.59 39.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.655 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -54.14 -42.5 69.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 37' ' ' TYR . 23.4 t -56.42 -41.06 75.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.954 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.679 ' O ' HD23 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -82.64 -56.36 3.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.078 . . . . 0.0 109.268 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.453 ' CB ' ' HB ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -52.45 -33.41 44.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.01 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -50.69 -22.38 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 39' ' ' ASN . 4.1 pp -45.63 -26.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -149.39 60.55 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER 36.36 34.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.598 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 43' ' ' GLY . 9.1 t -87.49 -23.59 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 5.7 p-10 -55.07 -50.37 69.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.678 ' HB2' HG13 ' A' ' 58' ' ' VAL . 6.9 p -67.76 -20.54 65.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 108.294 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 m -77.82 -29.94 50.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.472 ' HB ' ' CD1' ' A' ' 33' ' ' LEU . 27.6 pt -91.35 -43.48 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.554 ' NZ ' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -59.84 -58.56 8.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.603 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -39.12 -29.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -94.83 -65.01 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -43.63 -70.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.42 ' HD2' ' NH2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -87.42 -55.17 3.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.603 HD12 ' O ' ' A' ' 51' ' ' GLU . 0.5 OUTLIER 80.48 30.76 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.222 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.69 -44.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.103 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -47.51 74.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.678 HG13 ' HB2' ' A' ' 47' ' ' CYS . 69.7 t 46.54 91.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.453 ' CB ' ' ND2' ' A' ' 46' ' ' ASN . 1.1 t0 61.8 100.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.551 ' C ' ' CZ ' ' A' ' 37' ' ' TYR . 44.6 t0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.402 ' N ' ' HD2' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.9 mm -128.96 48.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -93.69 -24.6 17.8 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -100.18 -8.2 23.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.2 -20.69 5.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.433 1.083 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.3 m -70.15 -34.32 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.425 0.721 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.11 -25.16 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -62.45 -51.28 68.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.22 -47.2 52.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.6 mm -54.83 -23.28 11.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -90.64 -49.33 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.185 . . . . 0.0 110.311 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -61.21 -31.57 71.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.4 m -79.77 -23.73 42.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.969 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -77.07 -31.3 55.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -99.71 -29.1 12.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.232 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . 37.44 77.65 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -122.06 152.87 60.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.438 0.728 . . . . 0.0 109.6 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.17 -62.58 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.461 1.769 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -54.85 -19.57 6.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.573 1.171 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -52.13 57.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.23 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.39 -39.56 76.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -55.22 -26.48 39.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.74 -56.77 3.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -62.17 -27.58 69.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 m -69.97 -34.38 73.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.858 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.4 tt0 -64.55 -24.2 67.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.5 t -80.9 -56.15 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 31' ' ' GLU . . . -51.9 -40.11 60.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.858 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -51.22 -25.78 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.423 ' HB2' ' NH2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -71.08 -29.6 65.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.038 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.471 ' O ' HG12 ' A' ' 34' ' ' VAL . 35.5 tt0 -56.84 -25.09 55.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 35' ' ' GLN . 3.9 tt0 -79.82 -33.72 40.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.492 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -48.98 -48.03 43.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.223 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.556 HG23 ' HE2' ' A' ' 50' ' ' LYS . 6.3 p -65.99 -25.9 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' GLU . 25.8 mt-30 -81.09 -21.63 39.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -74.94 -25.99 59.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.644 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -59.15 -24.43 63.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -47.91 53.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.989 ' O ' HD23 ' A' ' 42' ' ' LEU . 8.0 m120 -82.07 -26.17 33.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.654 ' OG ' HG21 ' A' ' 49' ' ' ILE . 17.9 m -79.68 -26.59 40.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -68.47 -6.47 25.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.989 HD23 ' O ' ' A' ' 39' ' ' ASN . 4.3 pp -38.2 -55.3 1.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.742 ' N ' HD12 ' A' ' 42' ' ' LEU . . . -114.26 -52.76 0.44 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.411 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 168.34 41.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 0.721 . . . . 0.0 109.581 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.726 HG12 HG23 ' A' ' 49' ' ' ILE . 13.0 t -100.31 -24.83 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.605 ' OD1' ' CD2' ' A' ' 37' ' ' TYR . 1.1 p30 -55.73 -23.61 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.5 p -82.02 -29.68 31.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.338 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.5 m -85.5 -32.0 22.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.726 HG23 HG12 ' A' ' 45' ' ' VAL . 1.2 pp -79.81 -37.89 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.932 ' HD2' HD22 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -56.53 -59.55 4.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.499 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -58.41 -23.38 57.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 49' ' ' ILE . 4.2 tp -43.01 -65.2 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.566 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -92.4 -68.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.667 ' HD3' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -46.79 -46.38 20.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 110.366 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.596 ' O ' HD13 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 62.19 14.05 6.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -143.12 -42.8 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.96 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.932 HD22 ' HD2' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -39.35 -48.76 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.405 ' C ' ' OD1' ' A' ' 59' ' ' ASP . 76.1 t 47.87 86.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER 44.94 92.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.584 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 54.7 t0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mt 44.33 62.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -156.3 -43.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -79.43 65.07 4.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.02 -9.04 71.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.43 ' CG1' HD12 ' A' ' 7' ' ' ILE . 8.3 p -89.83 -27.95 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.43 HD12 ' CG1' ' A' ' 6' ' ' VAL . 1.5 mp -77.29 -25.1 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.372 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -67.67 -45.59 74.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.87 -48.45 63.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.1 mt -50.97 -23.37 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 15' ' ' GLU . 21.5 tt0 -87.75 -43.91 11.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 16' ' ' GLY . 3.3 mtpt -56.47 -34.86 67.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 t -80.1 -25.15 40.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.976 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -83.25 -26.32 30.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' GLN . 8.5 mt-10 -99.72 -24.55 14.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . 38.23 80.1 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -77.25 153.56 82.09 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.419 0.717 . . . . 0.0 109.561 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -82.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.562 1.822 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.8 -27.52 13.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.077 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -50.36 -42.35 53.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 110.252 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . -51.01 -67.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.09 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ALA . 14.7 tp -80.58 -56.07 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -58.77 -27.62 65.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' ILE . 30.2 t -65.13 -51.11 63.18 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.465 1.103 . . . . 0.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.453 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.2 tp10 -52.32 -26.28 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.402 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.1 t -81.39 -46.57 20.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.147 . . . . 0.0 109.339 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.11 -22.33 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -79.8 -30.28 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 9.2 m -63.12 -28.4 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 110.041 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.529 ' O ' HG12 ' A' ' 34' ' ' VAL . 5.4 mt-10 -61.35 -28.49 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -83.44 -25.72 30.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 29' ' ' ILE . 1.2 mm? -59.63 -47.57 85.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.624 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 8.4 p -64.03 -17.7 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? -87.07 -35.51 18.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -23.63 62.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -54.64 -23.94 19.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.609 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -78.96 -49.07 13.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.96 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -72.58 -53.0 13.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.2 p -50.93 -38.48 50.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.957 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -50.4 -22.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.617 1.198 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.53 ' C ' HD12 ' A' ' 42' ' ' LEU . 3.2 pp -47.73 -24.8 1.03 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.573 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -150.34 54.1 0.49 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.4 OUTLIER 39.03 30.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.592 0.819 . . . . 0.0 109.653 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 43' ' ' GLY . 94.6 t -82.41 -26.18 8.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 59' ' ' ASP . 15.8 p-10 -56.92 -39.52 74.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.425 1.078 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 46.4 t -62.96 -18.62 63.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 108.233 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.2 m -85.08 -46.33 11.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.72 HD12 ' HD2' ' A' ' 50' ' ' LYS . 2.3 pp -78.5 -42.64 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.914 ' HE2' HD22 ' A' ' 57' ' ' LEU . 24.4 mmmt -61.97 -55.37 30.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.722 ' HB2' HG12 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -56.13 -16.01 4.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.8 -64.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.499 ' NH2' ' NH2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -66.31 -69.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.69 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -66.1 -49.04 68.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER 65.48 11.82 7.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -138.38 -39.05 0.53 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 111.02 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.914 HD22 ' HE2' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -63.75 -50.1 70.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.722 HG12 ' HB2' ' A' ' 51' ' ' GLU . 9.0 m 43.43 92.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.465 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 5.6 p-10 44.91 91.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.0 t0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.953 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.636 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.2 OUTLIER -40.18 -37.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.621 ' CB ' ' O ' ' A' ' 2' ' ' ILE . 2.0 t80 81.39 -23.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 2' ' ' ILE . 0.0 OUTLIER -99.15 39.96 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.66 -17.35 64.64 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.405 1.066 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 m -66.92 -44.12 88.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.283 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 mp -70.95 -25.47 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.49 -45.65 65.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.56 -45.83 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.3 mm -63.73 -24.71 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -71.81 -47.5 52.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' CG ' ' HG3' ' A' ' 20' ' ' ARG . 25.1 mtpt -50.93 -38.87 52.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -81.61 -23.99 36.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.404 1.065 . . . . 0.0 110.049 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -79.18 -28.86 42.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 16' ' ' GLY . 2.4 mm-40 -99.76 -27.79 13.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' GLU . . . 37.62 51.59 1.89 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.549 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 6.1 t60 -125.19 145.11 49.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.625 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.549 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 18.3 Cg_endo -75.0 57.53 4.6 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -104.15 -28.2 11.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.463 ' HG3' ' CG ' ' A' ' 12' ' ' LYS . 2.7 mmt180 -95.32 -51.26 4.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.91 -21.63 31.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -78.17 -25.88 47.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.057 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.658 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -80.68 -56.79 3.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.18 -27.7 67.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -65.71 -55.51 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -60.14 -21.38 61.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 23' ' ' LEU . 87.0 t -81.3 -41.02 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.33 -24.55 50.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -73.18 -30.53 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.374 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.6 m -76.75 -33.17 58.12 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.783 ' O ' HG12 ' A' ' 34' ' ' VAL . 36.6 tt0 -52.21 -25.84 10.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.346 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -81.83 -25.68 34.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.527 HD22 ' HB2' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -66.4 -43.39 85.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.783 HG12 ' O ' ' A' ' 31' ' ' GLU . 9.1 p -59.61 -24.13 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -86.56 -30.37 21.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -28.58 68.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.597 ' CD2' ' OD1' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -55.95 -28.41 56.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 111.012 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 40.3 t -68.61 -44.37 74.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -81.91 -27.99 33.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.429 ' HB3' ' N ' ' A' ' 46' ' ' ASN . 4.1 m -79.83 -27.05 40.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -51.33 -21.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 41' ' ' ALA . 1.0 OUTLIER -38.5 -87.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -68.69 -64.41 3.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.509 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.5 OUTLIER 161.09 44.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.454 0.738 . . . . 0.0 109.59 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.555 HG12 HG23 ' A' ' 49' ' ' ILE . 1.9 t -100.03 -24.9 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.597 ' OD1' ' CD2' ' A' ' 37' ' ' TYR . 1.3 p30 -55.48 -22.61 21.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.2 p -89.28 -25.75 21.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 108.331 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 91.1 m -84.62 -37.2 21.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.555 HG23 HG12 ' A' ' 45' ' ' VAL . 1.1 pt -76.81 -13.61 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.543 ' CE ' ' HA ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -80.46 -62.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.235 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -54.91 -17.0 3.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.23 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.8 -35.25 15.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.527 ' HB2' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -90.57 -71.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.248 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.594 ' HD3' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -70.91 -48.15 55.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER 87.44 7.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.41 -43.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.594 HD13 ' HD3' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -39.51 -44.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' LEU . 60.6 t 38.34 85.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER 61.16 92.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.58 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.9 mm -119.96 50.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -101.01 -24.4 14.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.986 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.96 61.9 2.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.63 52.23 0.72 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.109 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p -149.16 -47.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 109.246 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 mp -69.26 -25.11 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -52.05 62.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.52 -53.14 56.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mm -53.92 -23.84 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.72 -29.26 65.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -72.31 -36.91 69.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.4 m -82.94 -23.93 33.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -83.55 -25.83 30.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -99.49 -25.55 14.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.11 47.12 2.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.567 1.167 . . . . 0.0 111.039 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.483 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -122.48 170.7 7.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.529 0.782 . . . . 0.0 109.578 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -164.34 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.49 ' O ' ' CB ' ' A' ' 22' ' ' TYR . 5.1 m-85 -49.55 -21.88 1.1 Allowed 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -58.41 -39.87 80.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' HB2' ' CB ' ' A' ' 17' ' ' HIS . . . -61.6 -26.06 67.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.396 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.49 ' CB ' ' O ' ' A' ' 19' ' ' PHE . 12.7 t80 -59.01 -25.83 64.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.76 -55.15 5.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -62.72 -27.56 69.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.404 1.065 . . . . 0.0 110.246 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 1.2 m -54.81 -50.28 68.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.612 1.195 . . . . 0.0 109.918 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.636 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.1 mt-10 -55.13 -27.08 42.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.23 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.32 -48.38 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.31 -22.66 67.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -68.37 -31.04 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.45 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 1.1 m -72.2 -26.94 62.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' HG12 ' A' ' 34' ' ' VAL . 8.3 tp10 -60.92 -26.64 67.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.304 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -83.39 -31.38 26.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -50.97 -47.16 61.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.651 HG23 ' HZ1' ' A' ' 50' ' ' LYS . 3.5 p -62.43 -24.32 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.402 1.064 . . . . 0.0 109.375 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.11 -19.16 51.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -80.18 -25.61 39.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.645 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -55.97 -23.94 35.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 111.04 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -78.77 -39.21 36.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.607 ' O ' HD12 ' A' ' 42' ' ' LEU . 3.5 t-20 -82.3 -31.87 29.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.513 ' OG ' ' CG1' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -79.95 -26.21 40.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -47.82 -22.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.346 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 39' ' ' ASN . 1.3 mt -75.14 55.32 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 109.286 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.923 ' O ' HG23 ' A' ' 45' ' ' VAL . . . 118.64 66.44 0.31 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.466 ' O ' ' O ' ' A' ' 40' ' ' SER . 21.7 m170 50.81 -134.18 1.62 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 0.746 . . . . 0.0 109.573 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.923 HG23 ' O ' ' A' ' 43' ' ' GLY . 5.2 t 70.46 -56.08 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.542 ' CB ' ' HA ' ' A' ' 37' ' ' TYR . 6.8 p30 -54.7 -20.11 7.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.577 1.173 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.464 ' HA ' ' N ' ' A' ' 59' ' ' ASP . 13.2 p -90.22 -26.78 19.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.238 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 45' ' ' VAL . 80.7 m -84.92 -44.69 12.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.519 HD12 ' N ' ' A' ' 50' ' ' LYS . 2.4 pp -61.9 -50.7 79.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.776 ' HE3' HD22 ' A' ' 57' ' ' LEU . 11.7 mttp -52.25 -54.79 26.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.988 ' O ' HD23 ' A' ' 55' ' ' LEU . 31.5 tt0 -58.67 -16.67 17.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.86 -36.49 12.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' CG ' ' HB3' ' A' ' 30' ' ' SER . 0.0 OUTLIER -89.85 -68.43 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.18 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' LYS . 6.8 tpt180 -72.23 -42.23 65.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.988 HD23 ' O ' ' A' ' 51' ' ' GLU . 2.2 mt 73.11 10.97 5.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -144.73 -43.89 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.776 HD22 ' HE3' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -49.24 -47.14 46.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.562 HG22 ' HB2' ' A' ' 51' ' ' GLU . 74.8 t 37.91 84.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.464 ' N ' ' HA ' ' A' ' 47' ' ' CYS . 7.7 t0 74.59 -56.32 0.64 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.761 ' C ' HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.619 ' HG2' HD12 ' A' ' 2' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.707 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.4 mp -98.62 58.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.403 1.064 . . . . 0.0 109.241 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -86.55 -30.26 22.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.557 ' HB3' HD12 ' A' ' 7' ' ' ILE . 11.8 mttt -85.89 66.76 9.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.05 21.36 22.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.78 -30.01 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.557 HD12 ' HB3' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -81.51 -25.09 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.9 -42.24 58.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.13 -52.03 15.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.8 mt -53.41 -23.2 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.252 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 15' ' ' GLU . 2.3 mm-40 -77.07 -44.56 30.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -48.4 70.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.7 t -63.47 -27.44 69.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.594 1.184 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -85.8 -32.89 21.54 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.4 mm-40 -77.51 -44.0 30.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.11 97.79 0.39 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.063 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.483 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 7.0 m170 -102.05 162.4 20.43 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.472 0.748 . . . . 0.0 109.642 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -75.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -104.45 -27.58 11.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -55.33 -46.44 76.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' HB2' ' HB2' ' A' ' 17' ' ' HIS . . . -60.18 -54.09 49.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -39.66 -28.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.6 mm? -80.72 -56.88 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -27.65 66.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.3 t -64.74 -50.74 65.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -22.2 63.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.0 t -81.34 -47.58 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.14 84.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -29.86 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 m -78.18 -35.9 48.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.566 ' O ' HG12 ' A' ' 34' ' ' VAL . 28.7 tt0 -52.02 -25.31 8.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.97 -27.36 33.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.32 -48.51 79.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 31' ' ' GLU . 11.5 p -60.08 -27.95 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.21 -30.62 34.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -23.4 64.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -54.62 -43.69 72.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.637 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -53.79 -40.45 66.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -83.35 -38.61 21.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.2 m -64.26 -33.45 75.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.547 ' HB2' ' ND2' ' A' ' 46' ' ' ASN . . . -50.69 -22.4 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.182 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.685 ' C ' HD12 ' A' ' 42' ' ' LEU . 1.2 pp -45.01 -26.71 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.599 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -152.64 56.46 0.44 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' GLY . 3.8 p-80 38.14 31.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.602 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 43' ' ' GLY . 99.0 t -83.43 -25.09 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.547 ' ND2' ' HB2' ' A' ' 41' ' ' ALA . 5.4 p30 -56.44 -19.05 13.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 58' ' ' VAL . 12.1 t -88.45 -26.5 22.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 108.349 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.1 m -84.99 -20.8 29.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.925 HD12 ' N ' ' A' ' 50' ' ' LYS . 1.9 pp -87.05 -48.57 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.925 ' N ' HD12 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -63.26 -27.2 69.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.706 ' O ' HD12 ' A' ' 55' ' ' LEU . 31.0 tt0 -39.34 -38.7 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -94.68 -64.45 1.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.868 HH22 HD22 ' A' ' 57' ' ' LEU . 4.9 tmm_? -36.13 -72.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.365 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.428 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -95.97 -56.15 2.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.354 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 51' ' ' GLU . 1.4 tt 82.57 21.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.45 ' C ' ' N ' ' A' ' 58' ' ' VAL . 0.5 OUTLIER -150.64 -44.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.868 HD22 HH22 ' A' ' 53' ' ' ARG . 0.2 OUTLIER -38.23 -32.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.711 ' O ' HG12 ' A' ' 58' ' ' VAL . 14.6 t 39.33 71.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.44 ' OD1' ' ND2' ' A' ' 46' ' ' ASN . 11.2 t0 70.29 -58.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' VAL . 9.5 t70 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 76.4 mt -74.41 -60.83 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -170.01 -39.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.26 -141.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.46 -17.72 20.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.5 t -105.32 -41.74 6.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 109.24 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.3 mm -65.01 -25.04 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -74.15 -49.9 21.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.26 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.9 65.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.0 mm -55.64 -23.33 14.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.243 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -65.21 -45.54 84.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -82.5 -55.31 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -47.5 -24.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.973 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -65.91 -38.31 88.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' LYS . 39.3 mt-10 -99.72 -30.67 11.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.29 -76.62 0.39 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 111.06 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 175.3 97.4 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.608 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 150.86 38.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.4 1.737 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -57.09 -18.62 15.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.587 1.18 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -75.92 -40.86 53.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.244 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.41 -25.89 68.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -69.64 -36.56 76.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.75 -43.06 20.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.213 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -28.26 69.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.9 p -66.42 -39.14 88.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.949 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -52.1 -22.25 3.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 31' ' ' GLU . 54.2 t -81.16 -54.98 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.72 -29.29 70.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 mp -76.76 -55.65 10.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 29.3 m -64.69 -26.63 68.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.541 ' O ' HG22 ' A' ' 34' ' ' VAL . 33.3 tt0 -61.62 -25.15 67.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -83.02 -23.61 33.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.64 ' CD1' HD13 ' A' ' 49' ' ' ILE . 3.8 mm? -64.11 -48.72 75.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.57 HG13 ' HE ' ' A' ' 53' ' ' ARG . 8.7 m -60.81 -19.45 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.415 1.072 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -79.85 -16.56 55.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.6 OUTLIER -80.33 -27.77 38.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 1.023 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.8 OUTLIER -54.74 -21.36 10.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 111.046 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.49 -50.31 10.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 110.003 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -83.15 -59.58 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 36' ' ' LYS . 41.9 t -48.51 -26.36 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.032 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 1.023 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -49.0 -88.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' ALA . 15.8 mt 36.23 35.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ALA . . . 137.7 -80.95 0.28 Allowed Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.412 ' HB3' ' O ' ' A' ' 43' ' ' GLY . 0.6 OUTLIER -178.26 48.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 0.818 . . . . 0.0 109.585 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 41' ' ' ALA . 1.3 t -92.66 -41.7 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.389 1.055 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.607 ' CB ' ' HA ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -58.54 -29.44 66.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.468 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 7.9 p -51.49 -25.12 5.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 108.31 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.8 m -85.03 -28.24 25.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.884 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -90.88 -14.03 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.49 ' HZ1' HG12 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -78.13 -58.46 3.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -56.75 -17.07 7.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.32 -36.04 16.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.57 ' HE ' HG13 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -90.66 -68.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.8 tpt85 -71.4 -51.68 22.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.242 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER 87.54 6.73 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -145.78 -44.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.579 HD13 ' C ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -43.82 -48.72 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.401 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 83.9 t 39.94 76.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.234 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.438 ' HB2' ' CB ' ' A' ' 47' ' ' CYS . 11.2 t0 75.07 -57.62 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.579 ' C ' HD13 ' A' ' 57' ' ' LEU . 8.3 t0 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.417 ' O ' HG22 ' A' ' 2' ' ' ILE . 6.2 mt -109.09 52.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.234 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -100.21 -24.55 14.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 5' ' ' GLY . 3.6 ptmt -99.8 -141.82 0.33 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.435 ' O ' ' CB ' ' A' ' 9' ' ' ALA . . . 78.46 9.82 86.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.073 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.659 ' O ' HG23 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -112.35 -48.05 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.57 0.806 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.435 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 1.1 pt -70.15 -25.04 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.91 -36.36 12.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 5' ' ' GLY . . . -71.96 -54.9 8.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 6' ' ' VAL . 1.2 pp -64.07 -23.38 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -56.07 -50.58 70.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 110.312 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -82.47 -53.22 6.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.373 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 m -46.3 -25.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.026 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -63.54 -40.38 96.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' LYS . 29.9 mt-10 -99.7 -30.45 12.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.71 -48.82 55.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -124.72 153.54 70.24 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.56 0.8 . . . . 0.0 109.583 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 56.64 4.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -101.07 -20.27 15.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.418 ' HD2' ' N ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -40.97 -44.63 2.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' N ' ' HD2' ' A' ' 20' ' ' ARG . . . -45.12 -65.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -44.08 -25.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.62 -55.52 4.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -62.14 -27.61 69.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -60.13 -48.74 80.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.571 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.1 mt-10 -57.03 -24.24 52.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.7 t -81.24 -42.63 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.29 -22.32 59.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.571 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -65.1 -30.17 49.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -64.18 -31.14 72.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.922 ' O ' HG12 ' A' ' 34' ' ' VAL . 3.4 pt-20 -56.37 -25.63 50.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.262 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -82.04 -23.04 36.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.175 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.472 ' CB ' ' HG3' ' A' ' 53' ' ' ARG . 4.0 mm? -75.51 -34.17 60.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.922 HG12 ' O ' ' A' ' 31' ' ' GLU . 7.4 p -61.33 -24.05 32.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.224 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -86.94 -13.75 43.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.256 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -26.09 38.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.646 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -56.2 -34.05 65.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.951 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.646 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -66.95 -37.49 84.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.967 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -83.43 -55.96 4.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.45 ' CB ' HG21 ' A' ' 49' ' ' ILE . 9.3 m -45.65 -27.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.499 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -49.07 -93.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.499 ' C ' ' O ' ' A' ' 41' ' ' ALA . 0.2 OUTLIER 32.74 42.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . 151.21 -79.67 0.2 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 0.5 OUTLIER 177.15 51.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.564 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 48' ' ' THR . 1.0 OUTLIER -110.24 -24.22 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.515 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 8.9 p30 -54.03 -31.63 51.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.471 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 12.8 p -77.56 -23.96 49.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 108.252 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' VAL . 23.6 m -86.81 -40.18 15.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.376 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.536 HD11 ' CB ' ' A' ' 37' ' ' TYR . 1.9 pp -71.28 -40.91 74.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.525 ' HZ2' HG23 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -50.59 -58.16 6.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -19.11 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.48 -32.32 13.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.472 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -73.81 -68.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 0.0 110.352 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.53 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 7.6 tpm_? -94.3 -45.96 7.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.53 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER 90.13 24.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -160.74 -42.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.508 ' CD2' ' C ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -45.68 -61.06 1.86 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 59' ' ' ASP . 68.5 t 64.03 105.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.456 ' CB ' ' OD1' ' A' ' 46' ' ' ASN . 26.8 t0 40.84 91.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.415 1.072 . . . . 0.0 109.277 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.579 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.38 1.05 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.6 pt -91.06 41.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -94.06 -39.35 10.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.32 -141.12 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 87.86 -17.58 44.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.01 -40.9 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.776 . . . . 0.0 109.259 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 pt -58.01 -25.12 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -61.61 -55.49 30.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.83 -50.2 65.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.3 mt -50.68 -23.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 15' ' ' GLU . 2.1 tt0 -70.21 -35.36 73.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -61.31 -37.72 84.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.91 -23.32 39.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.023 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -85.47 -24.99 27.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.8 mm-40 -99.55 -24.85 14.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.07 42.36 2.95 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.431 1.082 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.456 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 1.1 p80 -102.86 109.51 61.41 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.512 0.772 . . . . 0.0 109.594 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 162.64 36.64 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -47.1 -23.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -52.26 59.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.66 -24.81 67.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.371 1.044 . . . . 0.0 109.234 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -78.4 -27.27 46.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.65 -55.8 4.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.73 -27.47 63.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -60.54 -55.48 32.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -53.32 -25.48 15.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.408 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 41.6 t -81.42 -48.59 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.65 -23.14 66.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.29 -30.05 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 3.8 m -64.33 -26.15 68.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.032 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.408 ' OE2' ' O ' ' A' ' 27' ' ' VAL . 5.7 mm-40 -64.91 -25.22 67.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 36' ' ' LYS . 4.6 mt-10 -84.58 -23.24 29.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 30' ' ' SER . 2.4 mm? -59.23 -49.36 78.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.959 HG23 ' NZ ' ' A' ' 50' ' ' LYS . 9.8 p -68.49 -28.1 39.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -82.58 -18.39 41.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 110.278 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -76.7 -25.64 53.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.598 ' CD2' ' OD1' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -55.59 -29.93 59.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.073 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.412 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -70.1 -42.17 73.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.436 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -82.65 -25.56 32.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.157 . . . . 0.0 109.275 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.862 ' OG ' HG21 ' A' ' 49' ' ' ILE . 28.9 m -79.91 -27.69 39.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.456 ' CA ' ' HB3' ' A' ' 46' ' ' ASN . . . -51.04 -21.77 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -39.53 -66.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.494 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -112.37 63.45 0.28 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER 37.59 31.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.616 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.629 HG12 HG23 ' A' ' 49' ' ' ILE . 7.5 t -85.83 -25.71 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.598 ' OD1' ' CD2' ' A' ' 37' ' ' TYR . 1.0 OUTLIER -56.73 -18.22 11.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 59' ' ' ASP . 7.3 p -88.26 -27.64 21.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 108.318 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 55.3 m -84.65 -42.51 15.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.396 1.06 . . . . 0.0 110.416 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.862 HG21 ' OG ' ' A' ' 40' ' ' SER . 1.6 pp -62.25 -39.96 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.959 ' NZ ' HG23 ' A' ' 34' ' ' VAL . 2.5 tptp -60.23 -62.9 1.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -17.47 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -64.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.093 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.593 ' CZ ' ' CZ ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -85.02 -67.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.257 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.593 ' CZ ' ' CZ ' ' A' ' 53' ' ' ARG . 26.2 mmt180 -50.29 -51.54 44.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 62.66 13.41 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.404 ' O ' HG12 ' A' ' 58' ' ' VAL . 28.4 m-85 -145.04 -37.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.757 HD23 ' O ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -63.02 -46.45 87.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.474 HG12 ' C ' ' A' ' 57' ' ' LEU . 3.5 p 43.98 95.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.479 ' HB2' ' CB ' ' A' ' 47' ' ' CYS . 0.6 OUTLIER 43.12 93.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.757 ' O ' HD23 ' A' ' 57' ' ' LEU . 7.7 t0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 4' ' ' LYS . 28.3 mm 43.26 59.97 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 2' ' ' ILE . 0.3 OUTLIER 68.96 -59.15 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 2' ' ' ILE . 0.1 OUTLIER -87.13 -138.76 0.09 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 109.247 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.19 -16.6 38.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.507 HG12 ' CD1' ' A' ' 10' ' ' ILE . 63.1 t -117.75 -50.69 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.515 0.774 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.9 pt -62.9 -25.1 37.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -54.81 19.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.23 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -45.63 92.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.507 ' CD1' HG12 ' A' ' 6' ' ' VAL . 60.1 mt -54.13 -35.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' GLU . 2.1 mt-30 -60.09 -35.05 74.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.448 1.093 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -43.36 99.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -21.18 46.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.54 -25.37 26.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -99.66 -25.92 14.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.42 -22.25 44.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.415 1.072 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -87.08 166.0 28.6 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.531 0.783 . . . . 0.0 109.552 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.37 4.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -60.39 -18.43 50.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -46.67 86.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 17' ' ' HIS . . . -58.82 -42.18 88.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -49.6 -28.74 6.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -80.96 -56.59 4.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.61 1.193 . . . . 0.0 109.242 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -59.29 -27.58 65.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 29' ' ' ILE . 15.9 m -68.73 -56.15 9.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.599 1.187 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.2 -22.44 65.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 23' ' ' LEU . 52.2 t -79.28 -45.97 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.45 -19.9 55.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 25' ' ' SER . 6.6 mm -78.78 -23.97 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.0 p -68.83 -27.58 65.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.94 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.626 ' O ' HG12 ' A' ' 34' ' ' VAL . 12.5 mm-40 -60.65 -32.55 71.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -82.54 -23.43 34.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.461 ' CB ' ' HG3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -57.19 -45.76 83.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.679 HG23 ' NZ ' ' A' ' 50' ' ' LYS . 4.3 p -60.68 -27.31 40.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.33 -19.19 30.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.36 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -23.87 50.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.658 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -54.77 -42.68 72.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.658 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -55.52 -42.02 73.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.075 179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.84 -56.04 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.577 ' HB3' HG21 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -45.31 -28.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.509 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -49.27 -94.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.509 ' C ' ' O ' ' A' ' 41' ' ' ALA . 1.8 mt 31.39 61.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.61 -87.2 0.4 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.432 1.083 . . . . 0.0 111.052 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.573 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 1.2 t-80 -169.28 96.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.78 . . . . 0.0 109.644 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.014 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -155.93 -39.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.487 ' HB3' ' O ' ' A' ' 37' ' ' TYR . 7.4 p30 -53.82 -20.03 5.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.573 ' SG ' ' CD2' ' A' ' 44' ' ' HIS . 10.7 p -80.58 -34.69 35.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 52.8 m -85.16 -31.51 23.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.014 HG23 ' O ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -66.31 -40.65 87.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.679 ' NZ ' HG23 ' A' ' 34' ' ' VAL . 3.7 mttm -70.47 -37.32 74.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.3 tt0 -58.62 -20.33 46.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.371 1.044 . . . . 0.0 110.27 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.81 -55.68 2.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.168 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.461 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -59.12 -69.58 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -81.76 -55.18 4.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.574 1.171 . . . . 0.0 110.363 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER 88.25 22.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.54 ' O ' HG12 ' A' ' 58' ' ' VAL . 10.0 m-85 -155.72 -42.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -46.07 -29.22 1.42 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 58' ' ' VAL . 13.1 p 33.69 67.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.468 ' CB ' ' OD1' ' A' ' 46' ' ' ASN . 0.0 OUTLIER 63.6 107.96 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.576 ' HA ' HD12 ' A' ' 57' ' ' LEU . 12.4 t70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -124.02 -99.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.204 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 67.36 -64.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 2' ' ' ILE . 0.3 OUTLIER -97.05 -140.79 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.369 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.452 ' O ' ' CB ' ' A' ' 9' ' ' ALA . . . 84.68 1.96 88.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.904 ' O ' HG23 ' A' ' 10' ' ' ILE . 14.9 p -113.83 -54.71 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.422 0.719 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.553 ' N ' HG13 ' A' ' 6' ' ' VAL . 2.0 pt -51.98 -26.09 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -97.29 -44.99 6.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 5' ' ' GLY . . . -60.68 -34.46 74.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.904 HG23 ' O ' ' A' ' 6' ' ' VAL . 4.0 pt -79.09 -23.33 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 14' ' ' ASP . 4.0 mm100 -68.6 -49.37 59.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.6 mptp? -47.06 -49.36 21.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.605 1.19 . . . . 0.0 109.356 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.84 -28.77 62.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.051 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.9 m-20 -85.75 -26.66 25.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.44 -69.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . -42.95 -77.92 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -68.34 162.95 57.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.635 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 96.05 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.548 1.815 . . . . 0.0 111.055 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -56.86 -31.38 64.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -42.87 -54.34 4.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.87 -59.42 2.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -37.76 -33.54 0.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.509 1.13 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -80.92 -56.76 3.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.12 -27.41 45.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -76.41 -55.88 5.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.32 -24.36 66.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 23' ' ' LEU . 40.7 t -73.92 -57.7 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 109.243 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.71 -24.48 57.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.441 ' HA ' HD13 ' A' ' 29' ' ' ILE . 19.7 mm -82.59 -24.12 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.422 ' HB2' ' NE ' ' A' ' 53' ' ' ARG . 15.9 p -73.1 -33.86 65.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.022 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.498 ' OE2' ' CG2' ' A' ' 34' ' ' VAL . 8.4 tp10 -51.9 -25.14 7.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -76.44 -30.91 57.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -65.28 -49.24 70.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.596 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 16.2 m -63.91 -23.37 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -87.21 -37.1 17.57 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -67.52 -24.62 65.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.988 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -55.46 -24.82 33.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.988 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.62 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 44.1 t -79.48 -38.53 34.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.943 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.57 -57.72 3.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' LYS . 9.9 p -54.31 -27.53 36.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.151 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.988 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -47.92 -91.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 73.37 -56.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.463 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -171.91 65.78 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.716 ' O ' HG23 ' A' ' 45' ' ' VAL . 1.4 t60 84.56 91.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 109.595 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 44' ' ' HIS . 29.5 t -160.73 -42.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.252 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.485 ' CB ' ' HB2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -54.08 -33.68 58.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.351 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.42 ' SG ' ' CD2' ' A' ' 44' ' ' HIS . 7.8 p -63.66 -24.69 67.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 108.272 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.1 m -85.37 -45.76 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.392 1.058 . . . . 0.0 110.405 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 33' ' ' LEU . 1.5 pp -71.26 -37.47 66.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.558 ' HE3' ' CD2' ' A' ' 37' ' ' TYR . 7.8 mttt -64.91 -59.07 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' O ' HD23 ' A' ' 55' ' ' LEU . 8.3 pt-20 -55.48 -17.2 4.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -52.16 16.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.505 ' HD3' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -90.85 -69.17 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.733 ' HG2' HD23 ' A' ' 57' ' ' LEU . 3.1 tpt180 -55.72 -52.96 62.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.418 ' CD1' ' O ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER 79.06 4.41 2.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -140.14 -43.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.733 HD23 ' HG2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -40.0 -61.05 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 58' ' ' VAL . 54.8 t 53.14 77.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 10.6 t0 60.27 100.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.473 ' HB3' ' CD1' ' A' ' 57' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.632 HD12 ' N ' ' A' ' 2' ' ' ILE . 4.0 mp -97.3 47.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -93.84 -27.98 16.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 111.01 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.32 -140.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.16 48.35 32.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.53 1.143 . . . . 0.0 111.048 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.7 p -166.22 -46.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 0.772 . . . . 0.0 109.245 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 pt -74.48 -25.14 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.25 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -32.93 74.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.05 -46.39 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.8 mt -51.84 -44.47 37.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.23 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -63.56 -26.32 68.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' GLU . 12.8 mttt -82.38 -64.28 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 17' ' ' HIS . 26.9 m -46.11 -25.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.968 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -63.2 -40.71 98.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 12' ' ' LYS . 3.5 mt-10 -99.76 -28.52 13.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.191 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.83 55.23 0.63 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.403 ' CB ' ' O ' ' A' ' 13' ' ' SER . 0.1 OUTLIER 178.07 97.37 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 109.646 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -45.58 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -55.13 -17.89 4.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -76.1 -38.8 56.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.3 -22.3 61.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -73.46 -29.69 62.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.61 -54.48 5.62 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -27.52 62.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.343 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -62.26 -50.87 70.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.452 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.9 tm-20 -56.23 -23.74 37.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.078 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.9 t -81.25 -40.9 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.73 -24.04 59.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.488 HD13 ' HG2' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -76.57 -30.53 19.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m -66.0 -34.91 79.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.002 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.581 ' O ' HG12 ' A' ' 34' ' ' VAL . 20.6 tp10 -53.11 -25.45 13.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' HG2' HD13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -80.36 -25.6 39.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.438 ' CB ' ' HG3' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -63.17 -48.08 79.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 31' ' ' GLU . 9.3 p -60.32 -21.24 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -80.04 -39.72 29.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.361 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -61.73 -23.78 66.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.618 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -55.17 -36.35 65.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.618 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 36.3 t -61.28 -43.6 98.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.915 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.7 t30 -83.3 -23.93 32.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.366 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' LYS . 10.8 m -80.0 -30.3 39.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -51.46 -20.48 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.915 HD12 ' O ' ' A' ' 39' ' ' ASN . 0.7 OUTLIER -37.65 -58.19 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.635 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -129.81 66.78 0.57 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.107 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 44' ' ' HIS . 5.8 t-160 34.46 58.08 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.573 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.831 HG12 HG23 ' A' ' 49' ' ' ILE . 63.7 t -111.11 -24.24 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.512 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 1.5 p30 -55.45 -23.47 25.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.458 ' HB3' ' CD2' ' A' ' 44' ' ' HIS . 10.7 t -87.86 -27.73 22.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 108.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.523 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 17.2 m -84.68 -18.92 33.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.831 HG23 HG12 ' A' ' 45' ' ' VAL . 2.0 pp -94.04 -45.33 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.711 ' N ' HD12 ' A' ' 49' ' ' ILE . 0.7 OUTLIER -66.66 -30.79 71.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.696 ' O ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -44.56 -28.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.457 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -95.56 -29.74 14.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -73.96 -72.15 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.609 1.193 . . . . 0.0 110.331 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.55 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -96.04 -55.83 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER 91.33 25.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.691 ' N ' ' HZ2' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -153.42 -37.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -38.82 -29.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 0.0 109.335 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 58' ' ' VAL . 15.0 p 36.16 63.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 58' ' ' VAL . 5.8 t70 80.09 -54.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.511 ' HA ' HD12 ' A' ' 57' ' ' LEU . 15.1 t70 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.537 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 17.6 pt -74.92 -35.89 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.537 ' CD2' ' O ' ' A' ' 2' ' ' ILE . 0.8 OUTLIER -172.58 -38.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.88 -100.24 0.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.25 49.39 50.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.427 1.079 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.59 HG13 HD12 ' A' ' 7' ' ' ILE . 7.6 p -163.92 -48.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.59 HD12 HG13 ' A' ' 6' ' ' VAL . 2.7 mp -85.12 -25.19 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.73 -56.29 16.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.88 79.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.261 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.574 HG23 ' OE1' ' A' ' 24' ' ' GLU . 97.4 mt -55.47 -24.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -77.31 -28.41 53.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -31.04 49.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 p -81.37 -24.23 37.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.031 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.27 -26.04 33.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.212 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -99.64 -25.01 14.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.591 ' O ' ' CD2' ' A' ' 17' ' ' HIS . . . -54.94 -46.24 77.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.566 1.166 . . . . 0.0 111.063 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 16' ' ' GLY . 6.3 m170 -158.38 155.84 26.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.546 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -68.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.536 1.808 . . . . 0.0 110.973 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.83 -25.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -55.42 -49.29 72.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' GLU . . . -48.61 -56.69 7.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -39.92 -28.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.172 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -79.9 -50.2 10.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.619 1.199 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.574 ' OE1' HG23 ' A' ' 10' ' ' ILE . 6.6 tt0 -67.87 -27.51 66.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.262 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 t -62.74 -56.14 20.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.046 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -52.95 -22.53 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.4 t -81.35 -53.34 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.07 -32.83 74.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.685 HD13 ' CD ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -68.68 -30.96 48.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.379 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 65.9 m -68.31 -34.71 76.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.03 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.422 ' O ' HG12 ' A' ' 34' ' ' VAL . 9.1 tp10 -52.77 -24.2 8.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.234 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.685 ' CD ' HD13 ' A' ' 29' ' ' ILE . 2.2 pt-20 -81.09 -24.09 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.857 HD13 ' HG3' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -69.52 -49.17 57.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.463 ' HA ' ' CD ' ' A' ' 50' ' ' LYS . 9.9 p -62.57 -18.62 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.67 -19.04 36.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -80.27 -25.29 39.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -55.58 -23.4 26.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 111.039 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.14 -42.22 26.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.604 1.19 . . . . 0.0 110.029 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.592 ' O ' HD23 ' A' ' 42' ' ' LEU . 2.3 t30 -83.34 -56.65 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 36' ' ' LYS . 5.1 t -45.66 -27.0 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.03 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.468 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -48.1 -92.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.831 ' O ' HD12 ' A' ' 42' ' ' LEU . 3.5 pp 34.17 39.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 109.319 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ALA . . . 142.97 -82.46 0.22 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.407 ' HB3' ' O ' ' A' ' 43' ' ' GLY . 0.5 OUTLIER -178.91 56.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.578 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.429 ' HB ' ' O ' ' A' ' 40' ' ' SER . 0.9 OUTLIER -111.09 -26.44 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.117 . . . . 0.0 109.217 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.543 ' CB ' ' HA ' ' A' ' 37' ' ' TYR . 7.5 p-10 -56.02 -33.02 64.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 6.8 p -70.95 -20.53 62.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.3 m -82.84 -31.83 27.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 110.369 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.891 HD12 ' N ' ' A' ' 50' ' ' LYS . 1.9 pp -92.42 -49.03 13.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.891 ' N ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -56.43 -44.88 80.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.564 ' O ' HD22 ' A' ' 55' ' ' LEU . 32.8 tt0 -67.01 -15.4 63.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 110.364 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.83 -29.74 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.857 ' HG3' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -91.28 -68.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.477 ' N ' ' HD3' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -67.1 -50.13 62.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.564 HD22 ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER 83.35 0.83 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.405 ' O ' HG23 ' A' ' 58' ' ' VAL . 3.3 t80 -135.57 -41.81 0.7 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -45.7 -37.08 5.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' LEU . 95.6 t 38.91 72.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.525 ' CG ' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER 74.62 -54.97 0.66 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.605 ' O ' HD13 ' A' ' 57' ' ' LEU . 58.9 t0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.622 ' O ' HG22 ' A' ' 2' ' ' ILE . 9.8 mm -119.72 38.04 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.42 -43.63 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -100.02 -141.02 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.65 -14.8 54.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.122 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.411 HG22 ' CD1' ' A' ' 10' ' ' ILE . 9.3 p -107.0 -30.07 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.5 mt -66.94 -25.1 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -52.49 28.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.27 79.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.239 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.411 ' CD1' HG22 ' A' ' 6' ' ' VAL . 89.4 mt -51.51 -23.29 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -82.43 -41.62 19.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.267 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -61.76 -38.2 87.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.1 m -78.91 -22.74 45.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.17 . . . . 0.0 110.053 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -83.2 -28.68 29.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -98.2 -25.04 15.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . 39.67 81.11 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -84.04 156.67 63.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.604 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -70.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.516 1.798 . . . . 0.0 111.05 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -91.85 -50.61 5.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -45.68 -32.24 2.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.96 -58.97 5.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -46.1 -30.77 2.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 23' ' ' LEU . 11.4 tp -80.85 -52.39 7.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -27.53 62.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -59.29 -55.7 31.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.4 mt-10 -57.26 -23.38 47.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.4 t -81.25 -43.97 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.69 -29.05 63.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -70.02 -31.05 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.8 p -77.59 -37.99 49.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' O ' HG12 ' A' ' 34' ' ' VAL . 14.3 tp10 -52.82 -25.82 12.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -83.46 -24.98 31.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.416 ' CD1' ' HB ' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -67.44 -48.53 66.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.341 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.868 HG23 ' HE2' ' A' ' 50' ' ' LYS . 9.8 p -61.77 -19.31 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.36 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -81.5 -24.33 36.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.635 ' HB3' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -80.36 -24.94 39.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.969 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -55.36 -24.9 31.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.151 . . . . 0.0 111.057 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 t -81.47 -45.0 16.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.953 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.57 -57.48 3.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' LYS . 11.3 p -54.81 -27.75 44.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.066 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.969 ' HB2' ' O ' ' A' ' 37' ' ' TYR . . . -51.3 -24.11 4.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -78.02 55.64 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 168.48 -81.55 0.1 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.099 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.511 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.3 OUTLIER 162.13 43.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 0.793 . . . . 0.0 109.584 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 40' ' ' SER . 2.2 t -113.6 -27.15 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.519 ' HA ' ' CG1' ' A' ' 49' ' ' ILE . 14.7 p-10 -55.71 -21.93 21.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.443 ' HB3' ' CB ' ' A' ' 59' ' ' ASP . 1.3 p -89.85 -26.28 20.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 108.301 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.88 -23.54 33.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.635 HD13 ' HB3' ' A' ' 36' ' ' LYS . 1.2 pt -92.27 -37.08 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.582 1.176 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.868 ' HE2' HG23 ' A' ' 34' ' ' VAL . 3.1 mmmt -75.2 -61.74 1.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.205 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' CB ' HG22 ' A' ' 58' ' ' VAL . 1.8 tt0 -45.08 -23.73 0.18 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.589 1.181 . . . . 0.0 110.319 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.6 tp -95.83 -57.86 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.552 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -59.95 -70.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.552 ' N ' ' CD ' ' A' ' 53' ' ' ARG . 18.4 ttt180 -79.26 -55.28 5.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.537 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER 90.97 15.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -134.46 -41.92 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -82.61 53.86 2.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 52.3 t -64.75 73.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER 80.69 -52.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.511 ' HB2' HD13 ' A' ' 57' ' ' LEU . 4.7 t0 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 mm 40.67 68.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -168.52 -40.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 111.034 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -82.51 60.0 4.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.39 56.92 0.7 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.507 1.13 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -150.73 -47.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.553 0.796 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.1 -25.16 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' O ' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -67.87 -46.16 72.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.24 83.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.0 mm -59.75 -23.12 25.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -83.52 -34.44 25.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.346 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -82.18 -59.74 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.8 t -45.97 -25.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.027 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' A' ' 12' ' ' LYS . 26.3 t0 -63.25 -40.68 98.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LYS . 34.4 mt-10 -99.84 -30.69 11.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.418 1.074 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 38.14 75.87 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.684 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 4.0 m80 -63.39 159.92 46.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.439 0.729 . . . . 0.0 109.593 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -69.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 111.045 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -70.94 -55.79 7.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.11 -43.98 3.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -50.28 -66.03 0.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -41.57 -28.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -56.68 3.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -27.72 57.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 t -60.72 -56.25 23.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.36 -21.52 25.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.412 1.07 . . . . 0.0 110.268 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.1 t -81.38 -47.57 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.87 -30.87 67.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -67.66 -31.3 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.441 ' OG ' ' NH1' ' A' ' 53' ' ' ARG . 20.4 p -76.71 -36.93 56.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.553 ' O ' HG12 ' A' ' 34' ' ' VAL . 7.3 tp10 -52.75 -25.69 11.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -31.17 28.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.721 HD13 ' HB2' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -55.68 -47.9 75.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 31' ' ' GLU . 10.6 p -60.73 -22.15 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -86.74 -22.97 25.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -73.56 -24.38 60.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.663 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -55.31 -43.81 75.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.663 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -52.15 -42.64 63.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.963 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -83.81 -56.45 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.489 ' CB ' HG12 ' A' ' 49' ' ' ILE . 1.3 m -46.21 -26.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -48.3 -93.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 41' ' ' ALA . 27.3 mt 33.07 45.31 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.81 -81.84 0.21 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.34 38.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.572 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.534 ' CG1' HG23 ' A' ' 49' ' ' ILE . 2.5 t -97.95 -24.92 4.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.495 ' HB3' ' O ' ' A' ' 37' ' ' TYR . 13.1 p30 -54.21 -22.03 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.411 ' HB3' ' CG ' ' A' ' 59' ' ' ASP . 2.8 p -88.35 -27.08 21.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 108.293 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 45' ' ' VAL . 22.1 m -85.14 -19.39 31.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.455 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.886 HD12 ' N ' ' A' ' 50' ' ' LYS . 1.7 pp -89.56 -48.29 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.886 ' N ' HD12 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -63.91 -12.47 37.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.565 ' O ' HD12 ' A' ' 55' ' ' LEU . 9.3 tt0 -73.49 -22.45 60.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.17 -23.69 20.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.721 ' HB2' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -83.07 -67.73 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.551 ' N ' ' CD ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -93.28 -54.73 3.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER 85.53 30.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.945 ' O ' HG23 ' A' ' 58' ' ' VAL . 28.7 t80 -167.72 -39.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.651 HD23 ' CA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -38.85 -30.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 56' ' ' PHE . 69.2 t 53.84 83.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.434 ' HA ' ' OD1' ' A' ' 46' ' ' ASN . 0.3 OUTLIER 69.62 -60.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.345 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.651 ' CA ' HD23 ' A' ' 57' ' ' LEU . 16.9 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 stop_ save_