data_1te7_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 1te7 _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 ' 4' ' ' ASN . . . . . 0.452 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 1.7 t30 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.508 ' OD2' ' CE2' ' A' ' 33' ' ' PHE . 5.4 m-20 -94.42 -53.63 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.532 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 10.1 tt -150.61 142.76 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.577 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 2.3 p -104.94 176.34 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.425 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.577 ' CD1' ' C ' ' A' ' 7' ' ' THR . 45.8 m-85 -162.19 117.46 1.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.606 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 6.8 t80 -37.41 155.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.427 ' HA ' ' CG ' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -49.37 -47.55 47.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.254 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.581 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 4.2 mtt180 -59.33 -47.97 83.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -65.01 -38.08 89.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -46.39 84.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -59.12 -48.58 81.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -36.49 74.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.3 mt -64.07 -45.27 97.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.16 -24.64 59.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.84 7.93 19.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 76.21 -120.27 5.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER 43.01 94.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 110.227 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.92 148.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.9 m -150.51 155.66 39.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.495 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -96.46 155.93 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.541 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 21.6 p -123.12 173.68 7.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.489 HD12 ' CB ' ' A' ' 67' ' ' THR . 3.2 mp -136.53 129.38 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.64 ' NH2' ' CD2' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -131.08 172.0 12.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.436 ' OD2' ' N ' ' A' ' 28' ' ' GLU . 16.6 t0 -108.65 129.72 55.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.436 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 2.3 tp10 -49.54 -44.49 46.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 t -60.89 -14.84 24.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' SER . 1.8 mt-10 -122.94 17.42 10.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.04 104.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.64 ' CD2' ' NH2' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -85.29 -138.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.508 ' CE2' ' OD2' ' A' ' 5' ' ' ASP . 1.5 m-85 -54.54 -167.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.052 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -138.55 -172.6 3.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.4 m -72.09 162.79 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.04 14.04 37.08 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.59 -170.12 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -105.27 143.55 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.462 ' CD2' ' NE2' ' A' ' 32' ' ' HIS . 17.3 mt -124.43 104.6 8.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.35 119.97 10.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.437 HG22 ' CD1' ' A' ' 8' ' ' PHE . 9.8 p -100.12 147.39 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.8 147.37 9.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.427 ' CG ' ' HA ' ' A' ' 10' ' ' GLN . 2.4 ttm180 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 110.255 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 m -120.43 142.46 49.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.367 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.679 ' CD1' ' CG ' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -130.57 172.66 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -124.72 142.8 51.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.28 160.68 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.5 t -131.35 -41.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -154.13 169.29 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.494 ' CG2' HD11 ' A' ' 98' ' ' ILE . 1.9 m -146.15 151.3 37.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.376 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.427 ' N ' HG21 ' A' ' 58' ' ' THR . 0.0 OUTLIER -157.2 169.37 24.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.952 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.478 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -115.75 108.45 16.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.37 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.496 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -156.24 172.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.5 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 1.3 m -70.04 -153.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.58 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -100.54 -72.81 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.405 ' CB ' ' HD3' ' A' ' 69' ' ' LYS . 2.5 t0 -56.33 -11.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.5 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.2 p -68.17 -8.49 39.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.368 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.444 ' CD1' HG13 ' A' ' 97' ' ' VAL . 1.6 pp -170.51 -39.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.58 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.3 t -42.0 153.6 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.72 -23.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.503 ' HG2' ' CD1' ' A' ' 81' ' ' LEU . 63.5 tttt -49.03 -30.76 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -54.69 11.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.579 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.63 -36.1 69.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -72.37 -45.02 61.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.501 ' CA ' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -50.33 -36.57 32.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.14 27.94 4.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.34 -61.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.558 ' N ' ' O ' ' A' ' 72' ' ' GLU . 13.2 mmt -90.45 177.37 6.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 7.0 t -89.72 -175.37 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.437 ' N ' ' OG1' ' A' ' 77' ' ' THR . 4.9 mp -66.72 -38.86 87.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 49.7 m -56.07 -53.18 60.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.424 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.26 -43.83 92.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.503 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -58.9 -38.36 78.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -72.52 -29.22 63.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.338 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -52.96 28.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.411 HG21 ' N ' ' A' ' 85' ' ' ILE . 6.1 m -63.43 -44.04 98.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.493 ' CD1' ' HD2' ' A' ' 69' ' ' LYS . 2.8 mm -57.35 -40.34 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.27 -25.92 60.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.606 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -80.51 -28.13 37.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.635 ' O ' ' HB3' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -87.95 -57.54 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.635 ' HB3' ' O ' ' A' ' 88' ' ' ILE . 5.9 p90 162.33 150.83 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.92 17.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.8 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.15 119.8 1.78 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.423 ' HA ' ' CD2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -116.05 53.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 110.27 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' GLN . 42.9 p -122.21 152.67 39.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.153 . . . . 0.0 110.436 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 93' ' ' THR . 9.9 mt-30 -37.68 150.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.496 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -161.43 -178.25 6.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.55 132.49 34.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.541 ' HA ' ' O ' ' A' ' 24' ' ' THR . 74.2 t -117.35 133.29 64.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.494 HD11 ' CG2' ' A' ' 58' ' ' THR . 2.6 mm -125.03 126.01 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.495 ' HA ' ' HA ' ' A' ' 23' ' ' ILE . 7.7 tt0 -96.0 146.95 24.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.377 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.679 ' CG ' ' CD1' ' A' ' 53' ' ' ILE . 5.2 p90 -147.98 166.33 28.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.84 152.1 46.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.3 t -91.47 108.66 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 108.294 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 6' ' ' ILE . 18.3 t-20 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.487 ' CG ' ' CE2' ' A' ' 33' ' ' PHE . 1.7 m-20 -94.18 -45.94 7.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.487 ' CD1' ' NH1' ' A' ' 26' ' ' ARG . 1.3 tt -163.41 139.29 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 2.6 p -101.49 174.85 5.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.397 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -155.78 130.4 9.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.613 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 7.4 t80 -42.44 162.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.51 -53.18 49.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.577 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 7.4 mtp180 -50.05 -49.09 52.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 68' ' ' GLU . 4.2 m-85 -64.07 -40.11 95.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -49.63 75.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -59.38 -45.57 91.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.66 -39.1 64.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.505 HG12 ' CZ ' ' A' ' 100' ' ' PHE . 5.3 mt -67.73 -46.35 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -25.02 62.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.87 -1.85 27.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.86 60.61 8.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.448 1.093 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -124.25 96.43 4.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 110.294 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -38.63 101.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.33 158.71 27.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -99.69 152.96 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.506 ' O ' ' CG1' ' A' ' 97' ' ' VAL . 64.1 p -118.72 175.1 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.432 ' C ' ' CD ' ' A' ' 26' ' ' ARG . 4.0 mp -127.32 140.36 49.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.487 ' NH1' ' CD1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -141.39 171.75 13.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -107.98 134.21 51.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -55.77 -40.98 73.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.6 p -61.53 -14.77 32.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -119.06 9.29 11.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.26 114.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.412 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -108.86 -135.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.589 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.487 ' CE2' ' CG ' ' A' ' 5' ' ' ASP . 40.6 m-85 -47.88 177.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.44 -164.64 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.3 m -71.23 149.06 46.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.09 -15.39 44.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.26 -169.4 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.46 ' CG1' HG23 ' A' ' 52' ' ' THR . 0.9 OUTLIER -108.83 147.38 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.414 HD12 ' NH2' ' A' ' 26' ' ' ARG . 26.7 mt -127.8 109.13 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.417 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . 6.6 ttt85 -75.75 122.16 23.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.0 m -95.05 124.07 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 7' ' ' THR . . . -135.55 121.79 2.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 110.254 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 35.9 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.46 HG23 ' CG1' ' A' ' 38' ' ' VAL . 1.5 m -124.4 151.75 44.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.584 HD13 ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -143.99 172.05 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -114.14 150.86 33.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.24 154.04 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.5 t -123.36 -41.09 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.64 169.71 23.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.525 ' CG2' HD12 ' A' ' 98' ' ' ILE . 1.2 m -148.4 149.46 31.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.401 ' N ' HG21 ' A' ' 58' ' ' THR . 0.0 OUTLIER -156.58 167.84 29.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.051 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.507 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -112.0 110.72 21.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.516 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -157.11 171.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.486 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 1.4 m -68.18 -153.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.392 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -100.47 -71.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.25 -9.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.486 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.2 p -71.66 -5.45 33.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 67' ' ' THR . 3.6 pp -172.54 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.558 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.2 t -42.83 153.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -49.13 -23.6 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.423 1.077 . . . . 0.0 110.264 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.515 ' HB3' ' CG2' ' A' ' 67' ' ' THR . 37.7 tttt -48.2 -32.41 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -67.63 -54.79 16.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.638 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.51 -38.32 71.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -69.61 -44.83 69.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.443 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -51.02 -35.03 32.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.63 28.75 4.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -148.11 -59.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.513 ' N ' ' O ' ' A' ' 72' ' ' GLU . 27.8 mmt -90.53 177.59 6.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.1 t -92.89 171.67 8.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -38.05 66.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.25 -57.76 10.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.411 ' OE1' ' SD ' ' A' ' 76' ' ' MET . 3.2 mt-10 -56.38 -46.26 80.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.511 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -54.45 -37.91 65.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -31.35 65.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -53.37 37.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.427 HG21 ' N ' ' A' ' 85' ' ' ILE . 5.3 m -62.9 -43.92 99.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.473 ' CD1' ' HD2' ' A' ' 69' ' ' LYS . 2.5 mm -57.05 -39.19 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.19 -26.61 60.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.613 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -80.08 -27.61 39.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.623 HG22 ' CG ' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -88.36 -57.64 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.623 ' CG ' HG22 ' A' ' 88' ' ' ILE . 7.7 p90 165.11 148.02 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.26 4.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.81 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.62 113.95 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.434 ' C ' ' CG2' ' A' ' 93' ' ' THR . 2.9 tm0? -110.2 88.68 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 94' ' ' GLN . 15.1 p -149.48 152.6 35.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 93' ' ' THR . 4.7 mt-30 -34.71 144.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.516 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -161.9 -178.75 6.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 111.006 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.29 141.88 36.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 24' ' ' THR . 61.2 t -128.98 134.93 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.525 HD12 ' CG2' ' A' ' 58' ' ' THR . 4.9 mm -127.56 128.67 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.505 ' HA ' ' HA ' ' A' ' 23' ' ' ILE . 14.0 tt0 -96.17 153.74 17.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.586 1.179 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.584 ' CD1' HD13 ' A' ' 53' ' ' ILE . 6.7 p90 -143.18 174.16 10.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -152.51 148.51 27.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.5 t -92.68 130.62 38.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 108.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.435 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 2.8 t30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.435 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 3.1 m-20 -93.43 -53.08 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.6 tt -164.04 164.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.586 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -138.9 167.85 21.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.634 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -154.18 162.2 41.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.624 ' CZ ' ' CD2' ' A' ' 12' ' ' PHE . 7.7 p90 -40.23 163.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -37.06 84.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 7.5 mtp-105 -52.65 -19.82 2.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.624 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -79.6 -42.04 25.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -42.14 94.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -69.4 -47.66 63.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -62.73 -31.77 72.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.4 mt -66.89 -47.0 83.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -24.68 58.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.33 1.28 25.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 75.46 -130.98 11.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER 42.96 94.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -37.94 152.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -144.22 145.74 32.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.516 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -95.39 159.2 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.517 ' O ' ' CG1' ' A' ' 97' ' ' VAL . 73.1 p -128.43 171.87 11.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.462 ' CD1' ' HB ' ' A' ' 67' ' ' THR . 5.2 mp -127.78 129.46 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.476 ' CG ' HG12 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -125.14 171.78 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' SER . 6.2 t0 -96.09 129.67 43.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.403 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 6.7 tp10 -47.41 -47.53 26.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -60.74 -23.17 64.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.955 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 27' ' ' ASP . 9.5 mm-40 -121.56 28.29 7.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.549 ' OG ' ' CD2' ' A' ' 96' ' ' TYR . 0.1 OUTLIER -114.73 93.7 4.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -149.66 114.99 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.532 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -176.41 -147.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.07 149.34 15.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.7 m -71.3 158.96 35.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.2 -14.67 48.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -73.95 -175.81 2.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.767 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -105.21 137.25 35.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' ILE . 12.5 mt -117.22 103.98 10.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 128.61 36.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.562 HG23 ' CD1' ' A' ' 8' ' ' PHE . 7.4 p -118.45 160.57 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.97 -122.18 0.59 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 35.2 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 m -133.79 153.87 51.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.588 HD12 ' CE1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -142.77 173.02 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 100' ' ' PHE . 4.0 tt0 -124.98 144.43 50.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 0.0 110.27 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.25 150.92 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 57' ' ' ALA . 4.9 t -127.42 -44.19 1.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.411 ' N ' HG22 ' A' ' 56' ' ' THR . . . -153.85 169.26 23.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.51 ' CG2' HD13 ' A' ' 98' ' ' ILE . 1.8 m -144.55 150.54 37.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.46 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.28 168.25 27.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.492 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -115.78 110.57 19.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.509 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.28 173.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.485 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 1.3 m -67.83 -153.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.457 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -100.26 -71.52 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.9 -9.52 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.485 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.2 p -70.74 -6.6 38.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.366 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 97' ' ' VAL . 2.4 pp -171.69 -40.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.552 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.2 t -42.6 153.78 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.369 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -47.68 -23.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.492 ' HD2' ' CD1' ' A' ' 85' ' ' ILE . 28.7 tttt -49.38 -29.63 6.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -72.26 -54.48 9.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.82 76.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -65.07 -43.36 92.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.463 ' N ' HD12 ' A' ' 81' ' ' LEU . 6.9 tt0 -49.8 -36.66 27.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.1 30.07 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -148.5 -59.45 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 72' ' ' GLU . 22.7 mmt -90.55 177.99 6.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.464 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 1.3 t -86.13 176.05 8.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.433 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.464 ' N ' ' OG1' ' A' ' 77' ' ' THR . 8.0 mp -66.12 -37.52 85.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -56.77 -51.93 67.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.78 -47.78 83.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.481 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -56.77 -38.54 72.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -28.91 64.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -52.65 33.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.421 HG21 ' N ' ' A' ' 85' ' ' ILE . 4.6 m -65.21 -44.35 95.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.492 ' CD1' ' HD2' ' A' ' 69' ' ' LYS . 2.6 mm -56.31 -41.25 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.73 -29.75 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.13 -26.51 56.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.649 HG23 ' CG ' ' A' ' 89' ' ' TYR . 0.8 OUTLIER -92.75 -57.74 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.649 ' CG ' HG23 ' A' ' 88' ' ' ILE . 1.9 p90 160.26 162.18 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 91' ' ' GLY . 18.1 Cg_endo -75.05 -90.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.811 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 90' ' ' PRO . . . 32.88 91.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.43 ' C ' ' CG2' ' A' ' 93' ' ' THR . 0.0 OUTLIER -101.21 49.51 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.572 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 20.0 p -150.46 152.42 34.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 110.355 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.2 tt0 -36.21 150.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.572 ' CD2' ' O ' ' A' ' 93' ' ' THR . 10.5 m-85 -159.02 -178.52 7.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.549 ' CD2' ' OG ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -78.63 149.16 32.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 24' ' ' THR . 74.0 t -136.45 130.27 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.51 HD13 ' CG2' ' A' ' 58' ' ' THR . 4.4 mm -123.2 127.27 74.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 23' ' ' ILE . 12.4 tt0 -95.84 147.18 23.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.588 ' CE1' HD12 ' A' ' 53' ' ' ILE . 3.4 p90 -148.26 165.06 32.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -131.42 154.81 48.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 9.1 t -91.76 105.28 17.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 1.8 t30 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 3.7 m-20 -94.6 -52.18 4.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.574 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 14.7 tt -151.1 141.8 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.582 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.9 p -101.36 171.48 7.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.441 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 7' ' ' THR . 57.7 m-85 -162.21 123.1 2.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.614 ' CE1' ' OD1' ' A' ' 87' ' ' ASP . 7.5 t80 -52.38 161.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.442 ' HA ' ' CG ' ' A' ' 43' ' ' ARG . 1.8 tt0 -50.34 -48.12 55.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.57 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 6.6 mtp180 -54.29 -49.06 70.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 68' ' ' GLU . 6.8 m-85 -63.06 -39.14 93.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -48.95 79.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -58.3 -45.74 87.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -28.76 70.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 100' ' ' PHE . 19.7 mt -71.5 -46.42 63.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.52 -24.58 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.37 -5.93 47.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.25 45.99 94.52 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -107.13 100.71 10.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.756 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -38.8 102.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -120.65 150.36 41.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.497 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -95.86 160.36 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.51 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 64.7 p -131.28 173.75 10.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.463 ' CD1' ' HB ' ' A' ' 67' ' ' THR . 4.7 mp -129.81 137.64 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.483 ' NH1' ' CD1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -135.72 171.15 14.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.55 ' HA ' ' CE1' ' A' ' 95' ' ' PHE . 17.4 t0 -97.35 129.71 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -50.18 -45.13 53.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.0 p -57.22 -17.53 11.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.026 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -129.18 16.91 6.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -107.2 95.22 5.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.78 114.11 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.589 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -179.14 -146.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 111.052 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.84 151.51 23.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.0 m -73.85 165.35 25.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.69 14.41 72.58 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.17 -170.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.774 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.479 HG13 ' CG2' ' A' ' 52' ' ' THR . 1.2 t -100.83 149.85 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' ILE . 15.2 mt -135.59 103.41 5.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.75 127.85 27.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.564 HG22 ' CD2' ' A' ' 8' ' ' PHE . 7.2 p -116.83 144.57 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.426 ' N ' HG21 ' A' ' 41' ' ' VAL . . . -173.17 146.09 8.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.442 ' CG ' ' HA ' ' A' ' 10' ' ' GLN . 2.1 ttp180 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 47.1 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.479 ' CG2' HG13 ' A' ' 38' ' ' VAL . 77.3 m -132.62 151.53 51.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.595 ' CD1' ' CG ' ' A' ' 100' ' ' PHE . 3.8 pt -132.52 173.31 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -117.27 144.34 44.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -71.31 156.01 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 57' ' ' ALA . 14.4 t -127.8 -42.55 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.402 ' N ' HG22 ' A' ' 56' ' ' THR . . . -160.59 169.15 23.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.51 ' CG2' HD11 ' A' ' 98' ' ' ILE . 1.2 m -149.17 151.76 34.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.3 168.68 26.57 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.165 . . . . 0.0 110.058 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.5 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -111.99 106.54 15.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.394 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.524 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.08 172.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.441 ' OG1' HG21 ' A' ' 65' ' ' THR . 0.4 OUTLIER -67.89 -152.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.427 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.598 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -103.64 -70.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.69 -9.07 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.462 ' H ' ' C ' ' A' ' 63' ' ' LEU . 1.0 OUTLIER -74.85 -3.81 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.426 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.459 HD11 ' CG1' ' A' ' 97' ' ' VAL . 2.5 pp -172.4 -40.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.598 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.2 t -43.93 154.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -50.78 -22.66 2.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.537 ' HB3' ' CG2' ' A' ' 67' ' ' THR . 70.7 tttt -48.77 -32.67 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -66.87 -54.86 18.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.606 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.99 -36.37 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.572 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -71.52 -45.1 63.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.488 ' CA ' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -49.79 -36.43 26.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.75 29.3 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -149.25 -60.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.572 ' N ' ' O ' ' A' ' 72' ' ' GLU . 28.4 mmt -90.82 177.88 6.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 7.6 t -86.97 -174.5 4.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.439 ' N ' ' OG1' ' A' ' 77' ' ' THR . 4.3 mp -70.4 -38.93 74.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.4 -52.46 64.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.405 ' OE1' ' SD ' ' A' ' 76' ' ' MET . 2.8 mt-10 -57.14 -43.88 82.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.502 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -57.97 -39.01 77.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -70.28 -31.0 68.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -66.12 -53.16 41.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.446 HG23 ' N ' ' A' ' 85' ' ' ILE . 8.8 m -61.92 -38.22 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -61.48 -37.76 78.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.3 -25.81 55.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.614 ' OD1' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -80.1 -30.03 39.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.607 HG22 ' CG ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -84.3 -57.81 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.607 ' CG ' HG22 ' A' ' 88' ' ' ILE . 8.8 p90 166.39 145.73 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 130.99 13.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.506 1.793 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 128.24 121.03 2.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -115.79 72.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.249 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 94' ' ' GLN . 14.9 p -147.24 152.36 38.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 93' ' ' THR . 32.7 mt-30 -35.42 144.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.55 ' CE1' ' HA ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -161.36 -178.14 6.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -80.2 139.74 36.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 24' ' ' THR . 71.8 t -125.3 129.49 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.51 HD11 ' CG2' ' A' ' 58' ' ' THR . 2.6 mm -122.6 130.77 74.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.497 ' HA ' ' HA ' ' A' ' 23' ' ' ILE . 1.6 tt0 -97.15 155.87 16.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.595 ' CG ' ' CD1' ' A' ' 53' ' ' ILE . 5.4 p90 -148.67 157.0 43.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.51 146.82 30.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.4 t -92.18 123.33 35.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 108.311 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.442 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.442 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 56.1 m-20 -99.28 -51.42 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.579 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 7.8 tt -139.65 143.95 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.598 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -107.71 166.76 10.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 7' ' ' THR . 8.3 m-85 -154.05 114.24 3.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.628 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 6.6 t80 -37.16 156.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.51 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -47.86 -51.59 22.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.58 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 19.9 mtp85 -54.36 -45.09 72.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.568 ' CZ ' HG21 ' A' ' 22' ' ' THR . 0.6 OUTLIER -64.94 -39.26 93.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -48.38 81.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -60.16 -48.43 81.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -53.88 -36.81 63.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.24 -44.19 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -26.94 64.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.47 7.79 18.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 75.85 -126.25 8.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER 41.66 93.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 0.787 . . . . 0.0 110.311 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.88 147.04 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.568 HG21 ' CZ ' ' A' ' 12' ' ' PHE . 25.1 m -140.35 149.79 43.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.375 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.573 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -96.91 156.45 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.523 ' O ' ' CG1' ' A' ' 97' ' ' VAL . 31.0 p -125.42 173.21 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.477 ' CD1' ' HB ' ' A' ' 67' ' ' THR . 4.1 mp -132.68 135.56 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.431 ' NH2' ' HB ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -132.62 172.03 13.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 35.9 t0 -104.13 127.19 51.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -50.07 -40.04 44.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.405 ' OG ' ' CG ' ' A' ' 27' ' ' ASP . 90.6 p -60.95 -18.41 56.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -119.41 17.11 13.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -38.91 131.07 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.436 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 30.6 p-80 -114.59 -138.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.544 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 1.8 m-30 -62.2 -168.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.42 -164.74 1.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.3 m -74.25 148.86 41.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.432 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.31 -15.98 57.08 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.1 -169.71 2.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.415 ' CG1' ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -109.25 145.1 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.3 mt -126.77 109.29 11.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.94 114.41 8.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.4 p -86.75 147.03 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -156.26 -134.44 1.81 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.585 0.815 . . . . 0.0 110.33 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.415 ' CG2' ' CG1' ' A' ' 38' ' ' VAL . 25.2 m -129.79 149.13 51.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.554 ' CD1' ' HB2' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -144.0 169.8 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.419 ' O ' ' CD1' ' A' ' 53' ' ' ILE . 3.6 tt0 -112.13 137.23 50.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.95 159.98 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -123.99 -40.4 2.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.82 169.37 18.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.498 ' CG2' HD12 ' A' ' 98' ' ' ILE . 1.6 m -146.14 150.7 36.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.415 ' N ' HG23 ' A' ' 58' ' ' THR . 0.0 OUTLIER -156.14 168.35 27.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.962 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.504 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -113.54 106.37 14.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.54 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -158.52 173.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.281 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.51 ' OG1' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -68.87 -153.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.6 OUTLIER -102.5 -67.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.451 ' OD1' ' CG ' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -64.68 -7.17 9.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.381 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.51 ' CG2' ' OG1' ' A' ' 62' ' ' THR . 0.7 OUTLIER -73.46 -6.83 48.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 pp -167.76 -46.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.522 ' CG2' ' CB ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -43.38 150.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.4 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.69 -24.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.522 ' CB ' ' CG2' ' A' ' 67' ' ' THR . 0.1 OUTLIER -46.6 -30.65 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 5.4 t60 -63.11 -52.15 63.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.639 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.57 -43.48 84.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 76' ' ' MET . 6.6 tt0 -63.74 -43.42 96.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.489 ' CA ' HD12 ' A' ' 81' ' ' LEU . 1.2 tt0 -53.77 -37.08 63.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.33 27.19 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -144.07 -60.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.546 ' N ' ' O ' ' A' ' 72' ' ' GLU . 14.0 mmt -90.66 177.32 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 4.2 t -92.19 176.94 6.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.403 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.408 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.2 OUTLIER -61.64 -35.89 79.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -56.56 -49.83 73.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.51 -49.64 68.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.489 ' CD1' ' HG3' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -53.41 -38.14 63.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -70.48 -37.68 74.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -52.79 63.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.447 HG21 ' CE ' ' A' ' 69' ' ' LYS . 17.2 m -64.8 -37.32 79.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' A' ' 81' ' ' LEU . 1.2 mm -58.49 -36.84 61.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.7 -33.38 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.628 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -71.29 -31.98 68.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.648 HG21 ' CG ' ' A' ' 89' ' ' TYR . 0.5 OUTLIER -83.47 -57.38 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.648 ' CG ' HG21 ' A' ' 88' ' ' ILE . 8.3 p90 163.43 145.73 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 142.25 27.87 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 117.94 117.59 2.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.48 68.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.0 p -142.14 152.54 43.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.415 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -41.87 143.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.54 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -161.96 -177.62 5.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.62 142.49 46.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.523 ' CG1' ' O ' ' A' ' 24' ' ' THR . 66.9 t -130.96 128.36 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.498 HD12 ' CG2' ' A' ' 58' ' ' THR . 1.9 mm -121.25 128.42 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 23' ' ' ILE . 9.3 tt0 -95.28 139.14 32.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.554 ' HB2' ' CD1' ' A' ' 53' ' ' ILE . 24.4 p90 -138.13 152.63 48.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.451 ' N ' HD11 ' A' ' 53' ' ' ILE . 3.0 pttp -159.24 155.7 27.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.6 t -91.03 128.04 36.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.82 -37.5 3.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.563 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 10.9 tt -162.78 139.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.4 p -106.97 168.26 9.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.405 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.563 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 65.2 m-85 -154.46 116.17 4.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.609 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 7.6 t80 -42.74 161.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -51.8 -54.05 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.549 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -49.86 -50.42 45.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -29.9 70.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -66.36 -48.19 70.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.407 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 12.0 t70 -62.2 -45.9 91.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -54.61 -43.33 72.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.0 mt -68.59 -41.46 82.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -59.91 -24.96 64.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.91 -3.91 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.99 76.01 0.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 21' ' ' LYS . 34.9 mtt180 -141.76 94.29 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 0.783 . . . . 0.0 110.328 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -38.68 101.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -119.18 159.32 24.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.492 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -96.79 153.66 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.518 ' O ' ' CG1' ' A' ' 97' ' ' VAL . 10.9 p -119.58 173.64 6.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.38 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.45 ' O ' ' NE ' ' A' ' 26' ' ' ARG . 4.7 mp -132.28 138.78 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -139.66 172.23 13.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 31' ' ' SER . 12.9 t0 -99.78 130.1 45.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.416 ' CA ' ' OE2' ' A' ' 28' ' ' GLU . 2.7 tp10 -48.47 -44.6 35.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.4 ' OG ' ' OD2' ' A' ' 27' ' ' ASP . 8.2 p -56.08 -20.54 17.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.992 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -130.2 20.3 5.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -107.08 102.48 11.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -156.18 114.79 3.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -179.53 -160.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -149.49 157.98 43.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.7 m -75.59 157.11 34.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.73 -14.11 44.03 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.582 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 1.3 m-20 -75.86 -173.94 2.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.472 ' CG1' HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -104.56 147.55 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' ' 53' ' ' ILE . 12.0 mt -126.28 116.06 20.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 115.91 9.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.5 m -105.6 132.8 51.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.455 ' O ' ' NE2' ' A' ' 13' ' ' GLN . . . -132.66 -158.48 8.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.412 ' HD3' ' NE2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 110.252 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.7 m . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.472 HG22 ' CG1' ' A' ' 38' ' ' VAL . 1.3 m -119.03 141.73 48.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.389 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 100' ' ' PHE . 0.9 OUTLIER -132.75 171.96 17.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.425 ' N ' ' CD1' ' A' ' 53' ' ' ILE . 1.3 tt0 -118.3 145.94 44.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.2 158.03 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.5 t -129.52 -41.65 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -159.81 169.51 23.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.463 ' OG1' ' CG2' ' A' ' 98' ' ' ILE . 2.0 m -144.15 151.03 38.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.431 ' N ' HG23 ' A' ' 58' ' ' THR . 0.0 OUTLIER -156.14 169.98 23.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.95 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.491 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -115.99 107.77 15.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.442 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.508 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.13 170.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.491 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 1.4 m -70.29 -154.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.597 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -99.36 -73.44 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -54.35 -12.34 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.491 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.3 p -68.98 -5.79 23.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.38 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -173.73 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.597 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.3 t -42.11 157.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.438 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -22.46 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.493 ' HB3' ' CG2' ' A' ' 67' ' ' THR . 46.7 tttm -45.62 -44.62 13.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -63.28 -46.46 86.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.612 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.09 -48.62 70.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.577 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -66.01 -43.48 87.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -34.38 9.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.13 28.12 4.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.323 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.6 m120 -152.98 -62.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.577 ' N ' ' O ' ' A' ' 72' ' ' GLU . 15.4 mmt -90.49 178.58 6.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 8.5 t -88.62 -176.24 5.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.413 ' N ' ' OG1' ' A' ' 77' ' ' THR . 6.9 mp -71.09 -38.46 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -55.94 -54.35 45.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.54 -45.17 73.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.564 ' CD2' ' HB3' ' A' ' 72' ' ' GLU . 7.9 mt -59.59 -33.37 71.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -33.53 70.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.15 -52.82 30.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.4 m -63.88 -43.22 97.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.479 ' CD1' ' HD2' ' A' ' 69' ' ' LYS . 2.1 mm -57.77 -40.26 74.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.58 -25.16 59.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.609 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -81.11 -27.3 35.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.626 HG22 ' CG ' ' A' ' 89' ' ' TYR . 1.2 tt -89.08 -57.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.626 ' CG ' HG22 ' A' ' 88' ' ' ILE . 7.9 p90 166.88 147.88 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -172.46 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.25 117.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.44 ' HA ' ' CD2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -115.41 55.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.325 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 94' ' ' GLN . 10.0 p -128.01 152.92 47.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.414 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 93' ' ' THR . 34.6 mt-30 -36.11 147.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.508 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -160.62 -179.23 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.09 131.31 35.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.518 ' CG1' ' O ' ' A' ' 24' ' ' THR . 73.2 t -116.98 129.85 72.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.463 ' CG2' ' OG1' ' A' ' 58' ' ' THR . 2.8 mm -121.09 126.88 75.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.492 ' HA ' ' HA ' ' A' ' 23' ' ' ILE . 12.5 tt0 -97.27 147.39 24.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.479 ' HB2' ' CD1' ' A' ' 53' ' ' ILE . 4.4 p90 -148.65 166.07 29.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -141.36 149.65 41.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.11 -173.74 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 108.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.77 -46.78 6.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.578 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 2.8 tt -156.83 139.13 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.615 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 2.0 p -103.09 169.86 8.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.615 ' CD1' ' C ' ' A' ' 7' ' ' THR . 15.5 m-85 -151.74 130.84 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.62 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 9.6 t80 -46.07 164.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -54.06 -63.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.575 1.172 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.527 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -49.22 -37.38 22.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.57 ' CE1' ' CG2' ' A' ' 22' ' ' THR . 0.8 OUTLIER -62.93 -42.23 99.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -63.87 -45.18 90.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.18 -46.32 82.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.36 -45.75 87.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.0 mt -58.71 -43.01 86.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.16 -25.35 61.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.98 8.29 18.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.7 65.59 3.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -127.54 96.73 4.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.304 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.472 ' CG ' ' HB2' ' A' ' 101' ' ' LYS . 0.7 OUTLIER -37.73 109.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.57 ' CG2' ' CE1' ' A' ' 12' ' ' PHE . 89.9 m -115.65 141.85 47.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.565 HG23 ' CG1' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -95.15 163.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.461 ' O ' ' CG1' ' A' ' 97' ' ' VAL . 52.2 p -136.13 168.74 18.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.451 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.727 ' CG2' ' CD1' ' A' ' 95' ' ' PHE . 4.6 mp -129.08 138.02 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.506 ' NH2' ' NE2' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -133.03 171.84 13.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -103.62 127.77 51.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -52.45 -40.06 61.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -61.62 -14.06 27.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 31' ' ' SER . 8.6 mt-10 -121.76 14.24 10.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -36.22 119.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.506 ' NE2' ' NH2' ' A' ' 26' ' ' ARG . 5.8 p80 -112.02 -131.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.62 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.517 ' CE1' ' OD1' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -51.81 -170.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -145.19 -165.08 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.6 m -77.39 148.01 35.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.89 -14.26 53.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.441 1.088 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.517 ' OD1' ' CE1' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -85.5 -168.66 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -107.14 148.22 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.427 ' N ' HG12 ' A' ' 38' ' ' VAL . 20.8 mt -131.34 108.36 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.81 120.22 19.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.244 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.496 HG23 ' CE1' ' A' ' 8' ' ' PHE . 40.3 t -97.43 137.8 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.406 ' O ' ' NE2' ' A' ' 13' ' ' GLN . . . -137.03 -134.12 3.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.311 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 m -122.22 149.92 43.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.589 ' CD1' ' HB2' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -144.41 171.18 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' O ' ' CD1' ' A' ' 53' ' ' ILE . 0.7 OUTLIER -113.79 139.46 49.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.432 HG12 ' CG2' ' A' ' 98' ' ' ILE . 0.6 OUTLIER -60.15 157.07 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.6 t -121.22 -40.27 2.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.413 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.12 169.14 25.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.523 ' CG2' HD12 ' A' ' 98' ' ' ILE . 1.6 m -157.22 139.47 14.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.361 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.83 165.81 33.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.501 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 1.0 OUTLIER -99.25 116.02 30.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 110.388 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.501 ' CG2' ' C ' ' A' ' 60' ' ' THR . 0.0 OUTLIER -158.3 175.62 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.474 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 1.1 m -71.94 -153.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' A' ' 67' ' ' THR . 1.2 pp -100.64 -69.88 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -59.96 -8.16 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.474 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.2 p -72.79 -7.46 50.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.508 HD11 ' CG1' ' A' ' 97' ' ' VAL . 3.8 pp -170.87 -41.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.571 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.2 t -41.87 153.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.0 -23.59 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.488 ' HD2' ' CD1' ' A' ' 63' ' ' LEU . 56.2 tttt -49.78 -30.28 9.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -71.31 -55.47 7.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.63 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.84 -36.39 69.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 76' ' ' MET . 2.7 tt0 -72.93 -44.48 61.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.467 ' HG2' ' CD1' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -49.77 -35.48 22.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.69 28.5 4.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -147.72 -62.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 72' ' ' GLU . 38.0 mmt -90.61 178.45 6.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 7.6 t -86.84 -174.59 5.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.432 ' N ' ' OG1' ' A' ' 77' ' ' THR . 1.5 mp -71.4 -38.43 71.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 m -56.36 -57.33 12.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.1 -42.64 69.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.478 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -56.44 -41.06 75.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -68.11 -33.8 75.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -63.51 -53.78 46.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.247 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.425 HG21 ' N ' ' A' ' 85' ' ' ILE . 5.8 m -64.75 -41.49 92.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.451 ' CD1' HD13 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -60.14 -36.4 67.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.37 -24.67 50.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.62 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -82.51 -28.04 31.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.633 HG23 ' CD2' ' A' ' 89' ' ' TYR . 1.1 tt -85.53 -57.81 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.633 ' CD2' HG23 ' A' ' 88' ' ' ILE . 14.3 p90 166.5 139.09 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.2 Cg_endo -75.07 175.66 10.95 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.47 124.42 2.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.47 70.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.658 ' O ' ' CE2' ' A' ' 95' ' ' PHE . 13.7 p -131.43 152.84 50.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.39 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.42 ' CG ' ' OG1' ' A' ' 62' ' ' THR . 5.2 mt-30 -69.0 146.92 52.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.727 ' CD1' ' CG2' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -163.0 -177.93 5.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -65.0 151.46 45.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.565 ' CG1' HG23 ' A' ' 23' ' ' ILE . 65.7 t -138.14 127.05 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.523 HD12 ' CG2' ' A' ' 58' ' ' THR . 1.3 mm -116.68 125.57 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.556 ' HA ' ' HA ' ' A' ' 23' ' ' ILE . 0.6 OUTLIER -96.47 136.7 36.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.589 ' HB2' ' CD1' ' A' ' 53' ' ' ILE . 33.2 p90 -129.9 152.08 49.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.472 ' HB2' ' CG ' ' A' ' 21' ' ' LYS . 1.3 pttp -157.08 154.27 29.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.363 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.8 t -90.89 125.52 35.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 108.304 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.75 -40.38 10.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.585 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 6.4 tt -164.05 149.68 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.618 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.1 p -114.56 161.1 18.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 7' ' ' THR . 1.9 m-85 -151.53 130.7 12.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.848 ' CZ ' ' CD2' ' A' ' 12' ' ' PHE . 3.6 p90 -50.47 178.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -64.45 -44.65 90.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.585 ' HB2' ' CD1' ' A' ' 9' ' ' PHE . 0.9 OUTLIER -50.87 -29.25 11.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.848 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -78.59 -35.29 45.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.19 -54.34 11.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -51.27 -52.05 48.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.6 mt -54.77 -45.19 73.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -25.88 61.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.54 15.18 8.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 62.77 -126.1 36.42 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 44.09 94.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 0.728 . . . . 0.0 110.276 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -38.14 147.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.3 m -138.98 146.71 41.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.383 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.42 HG21 ' HB2' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -95.4 162.23 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.57 HG21 ' CE2' ' A' ' 100' ' ' PHE . 67.0 p -145.14 171.08 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.471 ' CD1' ' HB ' ' A' ' 67' ' ' THR . 4.1 mp -124.75 140.89 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -136.3 172.36 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 110.268 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -105.74 130.08 53.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.251 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -51.16 -39.43 56.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 p -64.72 -20.89 66.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 31' ' ' SER . 32.8 mt-10 -116.24 16.96 15.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.84 110.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.592 ' CE1' ' CD2' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -78.7 -136.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.619 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -70.94 -171.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.73 -171.37 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.4 m -75.28 147.61 40.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.5 -14.06 48.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.69 -170.08 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -108.03 147.45 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.592 ' CD2' ' CE1' ' A' ' 32' ' ' HIS . 24.5 mt -127.33 105.86 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.53 140.24 56.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.573 HG11 ' CE1' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -136.16 173.66 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -177.54 -114.75 0.41 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.272 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.2 m -131.24 154.25 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.59 HD11 ' CD1' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -142.6 171.89 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -117.94 154.1 32.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.233 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.86 159.1 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.402 HG23 ' C ' ' A' ' 99' ' ' GLU . 14.7 t -133.22 -44.04 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.35 168.35 24.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.512 ' CG2' HD12 ' A' ' 98' ' ' ILE . 1.4 m -156.39 142.94 18.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.408 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.82 166.31 33.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.488 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -104.13 111.39 23.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.367 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.512 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -157.14 171.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.49 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 1.4 m -69.58 -153.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -99.46 -72.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.236 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.401 ' HD2' ' NZ ' ' A' ' 69' ' ' LYS . 1.9 t0 -56.82 -9.59 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.49 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.3 p -72.13 -4.76 30.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.409 ' CD1' HG11 ' A' ' 97' ' ' VAL . 3.3 pp -173.94 -39.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.589 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.2 t -43.4 155.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -23.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.486 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 29.1 tttt -46.97 -31.33 3.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -75.4 -51.78 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.565 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.74 -53.27 58.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.6 OUTLIER -63.46 -42.43 98.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.525 ' CA ' HD11 ' A' ' 81' ' ' LEU . 8.3 tt0 -47.97 -35.95 11.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.09 30.26 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 72' ' ' GLU . 17.0 t-20 -151.58 -62.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.549 ' N ' ' O ' ' A' ' 72' ' ' GLU . 39.0 mmt -89.71 -179.82 5.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 t -89.51 -178.63 5.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.437 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.25 -35.15 71.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.92 -52.68 64.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.82 -47.33 82.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.532 ' CD2' ' HB3' ' A' ' 72' ' ' GLU . 9.7 mt -60.17 -31.88 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -71.02 -33.66 70.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -53.29 39.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.456 ' CG1' ' HD2' ' A' ' 11' ' ' ARG . 4.4 m -62.84 -42.32 95.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.453 ' CD1' HD11 ' A' ' 63' ' ' LEU . 1.0 OUTLIER -60.82 -36.92 74.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.76 -21.65 51.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.44 -27.74 25.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.619 HG21 ' CD2' ' A' ' 89' ' ' TYR . 1.9 tt -84.55 -57.75 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.619 ' CD2' HG21 ' A' ' 88' ' ' ILE . 11.8 p90 168.42 141.3 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 152.83 41.38 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.03 122.16 3.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.461 ' C ' ' CG2' ' A' ' 93' ' ' THR . 5.0 tm0? -111.73 98.33 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.461 ' CG2' ' C ' ' A' ' 92' ' ' GLN . 17.0 p -151.84 151.87 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -41.07 141.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.512 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -161.73 -178.52 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.24 140.77 40.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 24' ' ' THR . 79.7 t -125.56 132.29 71.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.512 HD12 ' CG2' ' A' ' 58' ' ' THR . 4.3 mm -125.52 121.71 60.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.509 ' HE2' ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -97.65 145.84 25.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.337 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.59 ' CD1' HD11 ' A' ' 53' ' ' ILE . 2.0 p90 -148.47 165.23 31.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -135.81 155.88 49.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.8 t -91.24 124.41 35.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 108.253 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.462 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 1.3 m-20 -90.06 -45.53 9.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.568 HG12 ' CE1' ' A' ' 8' ' ' PHE . 2.8 tt -154.4 141.67 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.53 156.51 17.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.568 ' CE1' HG12 ' A' ' 6' ' ' ILE . 83.3 m-85 -144.27 113.85 7.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.606 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 8.1 t80 -39.28 160.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -49.33 -54.72 15.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 35.4 mtp85 -51.28 -41.53 60.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 68' ' ' GLU . 11.2 m-85 -71.73 -32.06 67.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -46.03 75.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -65.06 -50.99 64.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.14 -48.18 61.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.2 mt -62.12 -44.16 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -28.62 66.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.77 11.9 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 80.63 -126.01 7.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER 42.77 93.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.471 ' CD ' ' OE2' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -43.0 158.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.5 m -152.01 152.58 32.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.482 HG22 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -102.11 148.07 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.574 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 15.1 p -115.1 174.59 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.756 ' H ' ' NH2' ' A' ' 26' ' ' ARG . 4.6 mp -135.93 122.79 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.756 ' NH2' ' H ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -122.36 171.87 8.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.575 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 10.7 t0 -98.04 128.52 44.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.41 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 8.4 tp10 -54.34 -41.93 69.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -63.04 -12.99 30.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' SER . 4.6 mm-40 -120.06 8.66 11.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.245 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -36.57 107.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.416 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -108.11 -132.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.568 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 5' ' ' ASP . 39.6 m-85 -41.54 164.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 11.3 mttt -131.85 -167.83 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m -68.22 141.11 56.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.68 -13.81 66.5 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -88.4 -171.25 3.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 0.793 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.447 HG11 ' CG2' ' A' ' 52' ' ' THR . 1.0 OUTLIER -106.54 149.72 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.474 ' HG ' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -123.38 103.68 8.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -71.67 119.92 16.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.527 ' CG1' ' CE1' ' A' ' 8' ' ' PHE . 28.7 m -106.0 135.06 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.94 -131.9 3.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.3 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.447 ' CG2' HG11 ' A' ' 38' ' ' VAL . 1.7 m -121.33 143.8 48.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.648 ' CD1' ' CG ' ' A' ' 100' ' ' PHE . 4.8 pt -133.95 173.21 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -118.64 149.75 40.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.38 158.07 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.441 ' CB ' ' HG3' ' A' ' 101' ' ' LYS . 5.8 t -127.09 -42.47 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -156.12 169.82 23.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.509 ' CG2' HD11 ' A' ' 98' ' ' ILE . 1.9 m -147.42 150.89 35.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.61 169.97 23.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.499 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -113.7 103.76 11.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.371 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.499 ' CG2' ' C ' ' A' ' 60' ' ' THR . 0.2 OUTLIER -156.25 172.5 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.408 ' HB ' ' OG1' ' A' ' 65' ' ' THR . 0.2 OUTLIER -71.58 -153.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.622 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.6 OUTLIER -101.14 -69.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -57.53 -9.76 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.443 ' H ' ' C ' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -75.29 -1.38 23.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.446 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.433 HD11 ' N ' ' A' ' 67' ' ' THR . 2.0 pp -174.27 -41.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.622 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.2 t -42.71 153.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.436 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 3.4 mt-10 -48.66 -23.57 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.509 ' HB3' ' CG2' ' A' ' 67' ' ' THR . 18.8 tttm -49.14 -29.97 6.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -70.23 -54.76 11.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.563 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.19 74.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 76' ' ' MET . 2.8 tt0 -71.11 -43.72 67.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.469 ' CA ' HD12 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -50.66 -38.41 46.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -96.94 27.55 3.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -145.15 -62.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.514 ' N ' ' O ' ' A' ' 72' ' ' GLU . 14.4 mmt -91.0 177.07 6.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 1.5 t -86.36 176.81 7.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.1 OUTLIER -64.03 -38.93 92.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.39 -57.17 13.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.68 -44.8 70.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.34 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.485 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -55.51 -39.87 71.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -69.61 -32.14 70.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -53.05 46.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.413 ' CG1' ' OE1' ' A' ' 72' ' ' GLU . 4.5 m -66.3 -41.04 88.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.477 ' CD1' ' HD2' ' A' ' 69' ' ' LYS . 1.8 mm -60.82 -38.62 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.99 -23.95 52.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.606 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -82.88 -27.16 30.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.604 HG21 ' CG ' ' A' ' 89' ' ' TYR . 1.9 tt -88.18 -57.37 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.604 ' CG ' HG21 ' A' ' 88' ' ' ILE . 8.6 p90 168.62 146.57 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -169.7 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.25 112.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.468 ' C ' ' CG2' ' A' ' 93' ' ' THR . 0.0 OUTLIER -115.38 81.69 1.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.468 ' CG2' ' C ' ' A' ' 92' ' ' GLN . 18.6 p -152.06 152.75 32.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.438 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' THR . 4.8 mt-30 -34.93 144.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.575 ' CD1' ' HA ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -161.5 -178.69 6.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.48 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -85.67 121.75 28.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.574 ' HA ' ' O ' ' A' ' 24' ' ' THR . 73.0 t -101.42 137.27 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.509 HD11 ' CG2' ' A' ' 58' ' ' THR . 4.5 mm -128.35 121.73 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.482 ' CG ' HG22 ' A' ' 23' ' ' ILE . 15.2 tt0 -95.47 154.82 17.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.648 ' CG ' ' CD1' ' A' ' 53' ' ' ILE . 4.8 p90 -145.85 160.87 41.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.441 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 20.0 mttt -129.11 147.59 50.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.6 t -92.15 124.44 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 108.295 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.295 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.445 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 1.0 OUTLIER -73.77 -50.07 22.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.576 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 13.4 tt -164.03 143.4 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.613 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.7 p -112.36 169.77 8.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.385 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.613 ' CD1' ' C ' ' A' ' 7' ' ' THR . 5.3 m-85 -157.62 149.3 21.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.625 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 10.7 t80 -76.54 160.21 29.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.427 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.8 OUTLIER -48.41 -47.55 37.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.586 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 27.5 mtp85 -61.86 -45.44 93.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.21 -36.22 79.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.401 ' CD ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.29 -46.77 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.11 -45.21 83.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -60.07 -43.66 95.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.4 -42.97 95.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -24.92 61.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.81 -1.21 27.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.92 69.81 1.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -137.3 94.84 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -37.45 102.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 m -110.36 155.48 22.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.451 HG22 ' CG ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -95.51 162.62 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.549 ' O ' ' CG1' ' A' ' 97' ' ' VAL . 21.7 p -141.1 170.78 15.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.468 ' CD1' ' HB ' ' A' ' 67' ' ' THR . 4.1 mp -128.24 136.87 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -132.25 171.93 13.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 31' ' ' SER . 23.6 t0 -95.8 127.93 42.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -49.41 -39.84 34.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.404 ' OG ' ' OD2' ' A' ' 27' ' ' ASP . 19.5 p -61.5 -16.86 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ASP . 4.8 mt-10 -132.84 17.94 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.602 ' OG ' ' CD2' ' A' ' 96' ' ' TYR . 0.3 OUTLIER -106.8 89.87 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -147.27 113.94 6.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.588 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.18 -158.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -145.54 157.58 43.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.6 m -76.8 160.61 29.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.01 -14.53 43.16 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.9 -173.64 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.505 ' CG1' ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -105.86 148.71 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.436 HD23 ' CG2' ' A' ' 6' ' ' ILE . 13.5 mt -127.26 106.36 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.4 129.6 41.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.597 ' CG1' ' CE1' ' A' ' 8' ' ' PHE . 1.8 m -132.17 -178.14 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' ' CD ' ' A' ' 13' ' ' GLN . . . 169.26 -80.32 0.1 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 110.309 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.7 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.505 ' CG2' ' CG1' ' A' ' 38' ' ' VAL . 20.6 m -140.98 146.32 37.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.486 ' CD1' ' N ' ' A' ' 54' ' ' GLU . 0.7 OUTLIER -133.01 171.7 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.486 ' N ' ' CD1' ' A' ' 53' ' ' ILE . 3.6 mt-10 -119.74 139.12 52.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.53 163.39 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.493 ' CG2' ' OE1' ' A' ' 99' ' ' GLU . 6.6 t -139.23 -44.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.389 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.408 ' N ' HG22 ' A' ' 56' ' ' THR . . . -148.21 169.57 19.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.526 ' CG2' HD13 ' A' ' 98' ' ' ILE . 1.7 m -153.83 146.37 24.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.399 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.94 168.84 26.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.5 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -113.02 105.56 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.385 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.539 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -155.67 173.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.477 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 1.0 OUTLIER -70.68 -157.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.659 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -99.77 -71.3 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -55.14 -8.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.511 ' H ' ' C ' ' A' ' 63' ' ' LEU . 4.1 p -79.81 -1.19 37.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.455 ' CD1' HG13 ' A' ' 97' ' ' VAL . 3.7 pp -177.17 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.659 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.1 t -41.4 152.04 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.416 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.85 -23.45 7.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.564 ' HB3' ' CG2' ' A' ' 67' ' ' THR . 18.4 tttt -49.22 -36.84 21.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -66.44 -50.26 63.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.612 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.59 -45.86 73.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -66.19 -43.3 87.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.526 ' CA ' HD12 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -48.89 -36.54 17.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.639 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 6.9 tt0 -90.36 20.72 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' GLU . 17.1 t-20 -143.72 -61.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.56 ' N ' ' O ' ' A' ' 72' ' ' GLU . 35.6 mmt -89.86 178.28 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 1.4 t -87.0 178.88 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.37 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.494 ' N ' ' OG1' ' A' ' 77' ' ' THR . 2.3 mp -69.08 -37.75 78.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.0 m -56.51 -57.37 12.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.87 -44.99 70.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.526 HD12 ' CA ' ' A' ' 73' ' ' GLN . 7.8 mt -59.5 -32.84 70.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.12 -33.6 67.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -67.94 -52.76 32.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.5 m -64.53 -44.23 96.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 81' ' ' LEU . 2.2 mm -57.1 -41.35 77.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.88 -26.67 62.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.625 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -79.91 -27.78 39.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.676 HG21 ' CG ' ' A' ' 89' ' ' TYR . 0.2 OUTLIER -87.63 -57.53 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.676 ' CG ' HG21 ' A' ' 88' ' ' ILE . 7.5 p90 163.97 144.9 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.88 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.99 112.13 0.22 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -115.43 64.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' GLN . 23.0 p -147.93 152.39 37.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.43 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 93' ' ' THR . 15.8 mt-30 -37.69 140.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.539 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.6 m-85 -160.69 -177.62 6.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.602 ' CD2' ' OG ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -75.73 144.52 41.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.549 ' CG1' ' O ' ' A' ' 24' ' ' THR . 54.3 t -132.04 137.69 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.526 HD13 ' CG2' ' A' ' 58' ' ' THR . 5.4 mm -129.55 119.14 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.493 ' OE1' ' CG2' ' A' ' 56' ' ' THR . 2.6 tm-20 -96.14 143.47 27.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.483 ' CB ' HD11 ' A' ' 53' ' ' ILE . 26.8 p90 -148.07 172.29 14.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 21' ' ' LYS . 11.1 pttt -145.47 152.95 40.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -91.65 -174.4 3.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.327 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.251 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 17.0 t-20 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 4' ' ' ASN . 2.4 m-20 -87.13 -41.5 13.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.576 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 5.8 tt -163.43 141.73 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.531 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 2.0 p -101.65 168.97 9.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.4 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.627 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 24.6 m-85 -158.6 131.99 7.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.092 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.83 ' CZ ' ' CD2' ' A' ' 12' ' ' PHE . 4.6 p90 -50.92 -175.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -69.94 -47.07 63.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.557 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 7.1 mtp180 -50.29 -24.99 3.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.83 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -80.22 -34.99 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -42.67 87.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -52.35 18.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.03 -47.71 74.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 12' ' ' PHE . 58.4 mt -57.55 -44.99 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.46 -24.67 60.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.38 -0.68 26.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 53.81 52.41 42.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' LYS . 93.0 mtt180 -115.0 99.16 7.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 0.76 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' ARG . 1.1 pttm -37.63 100.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ARG . 42.5 m -111.4 150.52 29.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.49 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -94.96 161.64 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.519 ' O ' ' CG1' ' A' ' 97' ' ' VAL . 31.4 p -131.07 171.89 12.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.434 ' C ' ' HD2' ' A' ' 26' ' ' ARG . 4.5 mp -130.45 130.99 65.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.531 ' CZ ' ' CD1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -126.96 172.17 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -108.07 128.29 54.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -50.19 -43.4 52.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -14.15 41.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.5 mm-40 -119.28 13.18 12.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.422 ' O ' ' OG ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -38.43 98.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 0.0 110.009 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.468 ' CE1' ' HE ' ' A' ' 26' ' ' ARG . 0.6 OUTLIER -88.14 -134.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.425 ' N ' ' CG ' ' A' ' 32' ' ' HIS . 9.7 m-85 -51.52 -173.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -137.52 -170.76 2.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.1 m -72.35 162.35 29.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.28 18.03 64.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.79 -169.0 1.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.405 ' CG1' HG22 ' A' ' 52' ' ' THR . 1.2 t -106.39 147.86 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.456 ' CD2' ' CE1' ' A' ' 32' ' ' HIS . 26.0 mt -130.09 103.9 7.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.65 138.18 58.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.476 ' CG1' HG12 ' A' ' 53' ' ' ILE . 1.4 m -131.51 168.85 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.01 -105.39 0.19 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.405 HG22 ' CG1' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -125.74 143.42 51.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.692 ' CD1' ' CG ' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -129.3 171.78 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -125.17 142.56 51.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.44 ' CG2' HD12 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -75.18 159.81 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.7 t -132.74 -44.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.395 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.73 168.63 21.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.537 ' CG2' HD13 ' A' ' 98' ' ' ILE . 4.1 m -146.46 144.98 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.79 166.58 32.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.499 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -106.69 115.61 30.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.529 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -158.09 175.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.507 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 7.7 m -79.27 -153.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.402 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.6 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.6 OUTLIER -98.99 -70.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -57.19 -9.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.507 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.3 p -74.18 -2.87 26.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 110.393 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -173.35 -41.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.6 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.2 t -43.05 153.3 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.3 -23.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.515 ' HG2' ' CD1' ' A' ' 81' ' ' LEU . 19.4 tttm -49.14 -31.06 7.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -68.11 -54.64 16.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.589 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.42 -37.68 73.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.7 OUTLIER -70.21 -44.76 67.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.508 ' CA ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -51.09 -36.15 38.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.86 28.24 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -147.59 -61.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.515 ' N ' ' O ' ' A' ' 72' ' ' GLU . 12.7 mmt -90.28 177.64 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 7.8 t -89.86 -171.22 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' ' 77' ' ' THR . 2.6 mp -70.83 -37.83 73.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -56.3 -55.4 33.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.374 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.23 -44.53 92.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.515 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -56.52 -34.77 67.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -73.47 -37.62 65.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -54.58 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 88' ' ' ILE . 27.4 m -57.31 -49.89 78.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.489 ' CD1' ' HD2' ' A' ' 69' ' ' LYS . 6.2 mm -49.85 -42.01 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.84 -24.16 62.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 84' ' ' VAL . 0.3 OUTLIER -81.07 -29.6 34.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.625 HD12 ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -87.86 -62.76 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.473 ' CE2' HG21 ' A' ' 88' ' ' ILE . 3.1 p90 169.75 145.86 0.1 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.64 36.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.776 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.39 123.5 4.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 111.035 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -115.69 54.16 0.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.8 p -122.62 151.69 41.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -45.24 149.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.6 m-85 -162.1 -177.6 5.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.05 140.16 39.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 111.044 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 24' ' ' THR . 71.4 t -126.47 132.59 70.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.537 HD13 ' CG2' ' A' ' 58' ' ' THR . 4.4 mm -124.4 127.33 73.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.49 ' HA ' ' HA ' ' A' ' 23' ' ' ILE . 7.9 tt0 -96.6 150.9 20.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.692 ' CG ' ' CD1' ' A' ' 53' ' ' ILE . 5.2 p90 -148.27 170.66 17.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -152.55 149.08 28.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.4 t -92.3 128.19 38.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 108.294 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.442 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 3.0 t30 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.442 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -93.72 -52.21 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.579 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 3.8 tt -164.38 144.45 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.6 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.4 p -108.38 170.73 7.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.602 ' CE1' HG22 ' A' ' 24' ' ' THR . 44.3 m-85 -154.33 134.6 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.568 ' CD2' ' HG3' ' A' ' 11' ' ' ARG . 6.2 t80 -44.08 164.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -56.3 -44.32 79.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.568 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 34.3 mtp85 -49.37 -48.17 47.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.531 ' CE1' ' HG3' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -62.12 -31.76 72.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -45.87 76.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.132 . . . . 0.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -65.08 -57.54 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.94 -42.98 60.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 12' ' ' PHE . 46.0 mt -63.05 -47.0 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.08 -28.52 66.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.53 18.51 7.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 72.3 -116.08 5.68 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.489 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER 45.22 97.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 0.0 110.286 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.489 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -34.02 106.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.1 m -100.78 120.21 39.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.444 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.511 HG23 ' CG1' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -96.13 158.81 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.602 HG22 ' CE1' ' A' ' 8' ' ' PHE . 68.5 p -138.86 166.92 23.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 62' ' ' THR . 4.1 mp -122.25 140.01 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.439 ' NE ' HG12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -138.99 163.74 31.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' SER . 13.8 t0 -91.42 130.63 37.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -50.12 -43.16 51.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -25.42 48.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -121.68 16.15 11.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.7 t -105.35 105.43 15.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.956 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -158.31 114.73 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.636 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -179.58 -154.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -147.8 157.7 43.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m -80.55 166.26 21.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.91 14.46 63.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.6 -172.75 2.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.421 ' CG1' ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -102.85 141.52 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.446 ' O ' HG13 ' A' ' 53' ' ' ILE . 12.2 mt -122.92 109.37 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 134.0 56.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.429 ' CG2' HG21 ' A' ' 53' ' ' ILE . 20.1 m -138.48 174.4 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.4 -107.17 0.2 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.755 . . . . 0.0 110.318 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.421 ' CG2' ' CG1' ' A' ' 38' ' ' VAL . 4.6 m -126.87 147.24 50.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.686 ' CD1' ' CG ' ' A' ' 100' ' ' PHE . 1.0 OUTLIER -132.15 172.77 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -125.78 139.33 53.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.417 ' HA ' ' HB3' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -72.35 161.41 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.8 t -141.37 -45.38 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.441 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -144.63 169.73 17.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.511 ' CG2' HD11 ' A' ' 98' ' ' ILE . 1.3 m -160.07 140.59 11.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -157.14 168.09 28.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.958 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.532 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -103.39 110.79 22.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.532 ' CG2' ' C ' ' A' ' 60' ' ' THR . 0.2 OUTLIER -158.28 174.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.447 ' O ' HG12 ' A' ' 25' ' ' ILE . 3.9 m -72.98 -154.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.432 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.626 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.8 OUTLIER -99.78 -71.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -54.73 -9.59 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.481 ' H ' ' C ' ' A' ' 63' ' ' LEU . 1.2 p -76.69 0.3 20.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.493 HD12 ' CG1' ' A' ' 97' ' ' VAL . 1.4 pp -178.93 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.626 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.1 t -41.47 153.16 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.531 ' HG3' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -52.5 -22.6 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.566 ' HB3' ' CG2' ' A' ' 67' ' ' THR . 28.0 tttt -49.14 -35.13 15.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.464 ' CD2' ' C ' ' A' ' 70' ' ' HIS . 1.6 t60 -68.94 -54.98 12.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.59 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.46 -37.38 65.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.497 ' HG2' ' CG ' ' A' ' 76' ' ' MET . 2.2 tt0 -72.66 -43.58 62.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.53 ' CA ' HD13 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -48.88 -36.32 16.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.44 26.91 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -145.49 -60.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.497 ' CG ' ' HG2' ' A' ' 72' ' ' GLU . 19.4 mmm -90.33 178.6 6.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.4 t -88.29 -177.78 5.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.1 mp -71.26 -38.06 71.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 m -60.1 -45.95 91.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.347 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -37.32 81.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.53 HD13 ' CA ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -61.96 -37.34 84.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -73.13 -38.47 66.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -53.42 57.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.471 ' O ' ' CG1' ' A' ' 88' ' ' ILE . 14.3 m -63.09 -49.61 82.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.478 ' CD1' ' HD2' ' A' ' 69' ' ' LYS . 1.3 mm -52.56 -40.65 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.54 -22.57 58.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.452 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -83.98 -27.23 28.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.539 HG22 ' CE2' ' A' ' 89' ' ' TYR . 0.3 OUTLIER -95.24 -60.32 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.539 ' CE2' HG22 ' A' ' 88' ' ' ILE . 1.0 OUTLIER 171.93 162.33 0.25 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -41.54 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.25 109.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -86.87 -142.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.754 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.57 ' O ' ' C ' ' A' ' 94' ' ' GLN . 35.6 p -60.19 157.94 12.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.57 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.5 tt0 -23.17 136.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.494 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.3 m-85 -144.26 -177.76 5.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.02 143.78 52.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.511 ' CG1' HG23 ' A' ' 23' ' ' ILE . 53.1 t -133.85 133.77 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.511 HD11 ' CG2' ' A' ' 58' ' ' THR . 3.2 mm -123.41 118.96 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.503 ' CG ' HG22 ' A' ' 23' ' ' ILE . 16.6 tt0 -95.89 140.39 30.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.351 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.686 ' CG ' ' CD1' ' A' ' 53' ' ' ILE . 2.7 p90 -148.68 170.21 18.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -126.02 163.73 22.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 103' ' ' LEU . 21.6 t -91.94 104.94 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 108.307 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 102' ' ' CYS . 3.2 pp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.425 ' ND2' ' HB3' ' A' ' 40' ' ' ARG . 18.0 t-20 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.427 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 4.9 m-20 -94.37 -47.19 6.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.571 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -165.22 139.2 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.408 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -101.81 164.63 11.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.389 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.571 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 43.5 m-85 -148.67 136.13 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.603 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 4.5 t80 -39.72 154.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -49.77 -51.38 39.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.575 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 5.0 mtp85 -50.08 -47.58 53.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.506 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 10.9 m-85 -62.27 -35.5 79.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -48.24 78.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.59 -46.69 88.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -34.91 71.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.468 HG12 ' CZ ' ' A' ' 100' ' ' PHE . 30.5 mt -66.88 -45.31 87.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.52 -25.4 62.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.88 -3.53 35.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 57.21 37.23 79.35 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 21' ' ' LYS . 14.1 mtt-85 -99.3 100.24 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.421 0.718 . . . . 0.0 110.323 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -37.69 105.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 m -119.8 148.88 42.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.511 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -98.56 154.13 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.58 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 44.7 p -121.32 174.61 6.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.557 ' O ' ' CZ ' ' A' ' 26' ' ' ARG . 4.6 mp -134.44 127.58 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.557 ' CZ ' ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -128.02 171.81 11.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.599 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 26.0 t0 -102.76 129.64 49.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -53.99 -39.87 66.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.332 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.3 t -62.04 -15.99 48.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.049 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' SER . 12.7 mm-40 -119.14 11.17 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.61 120.9 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.423 ' CD2' ' N ' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -113.15 -136.56 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.621 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 5' ' ' ASP . 37.2 m-85 -47.34 175.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -131.21 -169.82 2.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.8 m -69.9 148.65 48.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.83 -14.91 61.92 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.99 -170.89 3.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.1 t -107.86 148.08 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.2 101.8 6.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.425 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -78.09 126.42 30.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.553 HG13 ' CE1' ' A' ' 8' ' ' PHE . 18.1 m -108.78 162.54 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.92 -87.8 0.07 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.56 1.162 . . . . 0.0 110.987 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 110.28 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 11.0 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -136.07 147.25 47.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.528 HD11 ' CG ' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -144.51 172.65 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -124.6 152.55 43.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.98 140.5 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.407 HG21 ' C ' ' A' ' 99' ' ' GLU . 13.8 t -109.52 -46.1 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.415 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.13 168.93 24.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.496 ' CG2' HD12 ' A' ' 98' ' ' ILE . 3.7 m -144.65 147.83 33.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 110.441 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.62 170.06 23.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.47 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -114.05 108.82 17.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.401 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -155.5 174.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.55 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 8.8 m -75.72 -152.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.371 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.602 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -100.65 -73.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -54.9 -11.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.55 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.1 p -70.54 -5.89 32.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.467 ' CD1' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -174.03 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.602 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.2 t -41.68 154.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.75 -23.62 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.496 ' HB3' ' CG2' ' A' ' 67' ' ' THR . 56.7 tttt -49.34 -30.1 7.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -72.0 -55.22 7.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.572 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.74 -38.42 72.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 76' ' ' MET . 1.8 tt0 -72.15 -44.53 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.477 ' HG2' ' CD1' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -49.43 -36.13 21.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.17 27.63 4.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.405 ' CG ' ' SD ' ' A' ' 76' ' ' MET . 50.9 t-20 -146.99 -61.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.544 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.5 mpt? -90.65 -179.88 5.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 7.1 t -91.94 -172.03 3.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.442 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.5 OUTLIER -70.73 -37.78 73.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.3 m -56.79 -57.15 13.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -55.57 -44.21 76.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.489 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -57.12 -40.99 78.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.91 -29.42 67.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -53.39 24.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.443 ' CG1' ' OE2' ' A' ' 72' ' ' GLU . 5.0 m -65.02 -41.01 90.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.488 ' CD1' HD12 ' A' ' 63' ' ' LEU . 1.8 mm -60.1 -37.73 74.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.2 -24.17 51.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.603 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -82.37 -27.68 31.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.605 HG22 ' CD2' ' A' ' 89' ' ' TYR . 1.2 tt -86.47 -57.69 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.605 ' CD2' HG22 ' A' ' 88' ' ' ILE . 11.2 p90 168.12 141.64 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 157.68 42.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.95 122.22 4.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.44 1.088 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.438 ' C ' ' CG2' ' A' ' 93' ' ' THR . 0.6 OUTLIER -115.73 83.46 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.438 ' CG2' ' C ' ' A' ' 92' ' ' GLN . 20.0 p -150.45 152.65 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 93' ' ' THR . 10.0 mt-30 -37.32 148.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.599 ' CD1' ' HA ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -162.12 -178.86 6.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.455 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -87.79 120.39 29.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 24' ' ' THR . 81.5 t -100.5 133.06 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.496 HD12 ' CG2' ' A' ' 58' ' ' THR . 4.2 mm -125.92 124.66 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.236 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 23' ' ' ILE . 10.9 tt0 -95.45 153.04 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.528 ' CG ' HD11 ' A' ' 53' ' ' ILE . 7.3 p90 -147.49 155.96 42.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -138.83 152.31 47.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.9 t -91.62 108.18 19.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.336 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.461 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 1.1 t30 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 2.1 m-20 -94.33 -55.24 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.571 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 18.7 tt -146.09 141.93 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.1 p -108.54 166.49 10.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.379 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 7' ' ' THR . 42.5 m-85 -157.37 124.09 5.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 11' ' ' ARG . 7.0 t80 -38.66 158.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.429 ' OE1' ' N ' ' A' ' 11' ' ' ARG . 1.4 pp0? -51.32 -52.44 45.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.574 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -55.32 -47.79 75.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.23 -36.02 80.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -47.48 80.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -59.16 -46.54 88.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -41.61 77.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.63 -43.7 96.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -25.53 61.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.64 -1.02 25.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.71 66.67 2.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -130.49 96.11 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.278 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -36.02 104.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 20' ' ' ARG . 85.8 m -116.26 153.66 31.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.422 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -95.67 160.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.514 ' O ' ' CG1' ' A' ' 97' ' ' VAL . 29.7 p -142.9 173.98 11.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.538 ' CD1' ' OG1' ' A' ' 67' ' ' THR . 4.5 mp -133.84 141.13 44.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -136.07 171.75 14.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -100.7 126.8 47.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -51.66 -43.28 62.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.98 -13.71 28.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' SER . 20.7 mt-10 -121.42 14.28 11.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.77 100.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.49 ' NE2' ' NH1' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -80.01 -136.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.608 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.456 ' N ' ' CG ' ' A' ' 32' ' ' HIS . 6.6 m-85 -52.91 -170.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -135.01 -170.35 2.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.4 m -73.68 164.55 26.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.52 14.79 43.92 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.84 -172.21 2.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 0.747 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.459 ' CG1' ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -104.22 150.03 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.468 ' CD2' ' NE2' ' A' ' 32' ' ' HIS . 17.6 mt -130.27 113.18 14.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -68.19 117.07 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.404 HG21 ' N ' ' A' ' 42' ' ' GLY . 2.2 p -96.83 139.0 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.404 ' N ' HG21 ' A' ' 41' ' ' VAL . . . -151.76 -173.35 21.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.325 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.459 ' CG2' ' CG1' ' A' ' 38' ' ' VAL . 23.3 m -125.2 150.85 46.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 110.421 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.544 ' CD1' ' N ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -138.15 171.4 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.544 ' N ' ' CD1' ' A' ' 53' ' ' ILE . 2.2 mt-10 -120.72 143.2 48.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.424 HG13 ' CG2' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -76.09 159.79 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.0 t -135.53 -45.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.12 168.43 19.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.476 ' CG2' HD13 ' A' ' 98' ' ' ILE . 1.9 m -165.18 131.64 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -158.05 169.72 23.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.468 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -89.44 113.59 24.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.61 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -156.43 167.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.489 ' C ' ' OG1' ' A' ' 65' ' ' THR . 0.2 OUTLIER -82.08 -161.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.4 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.4 OUTLIER -92.8 -74.43 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 70' ' ' HIS . 3.0 t0 -49.92 -13.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.507 ' N ' ' C ' ' A' ' 63' ' ' LEU . 16.1 p -77.11 2.55 14.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -174.9 -46.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.559 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.2 m -46.04 148.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.456 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.488 ' N ' HG22 ' A' ' 67' ' ' THR . 7.2 mt-10 -43.86 -22.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.468 ' N ' ' C ' ' A' ' 67' ' ' THR . 2.9 tptm -46.04 -32.62 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 8.7 t60 -65.95 -54.8 21.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.589 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.58 81.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.568 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -60.22 -44.61 95.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.484 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -51.14 -38.43 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -99.36 28.41 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -146.07 -61.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.568 ' N ' ' O ' ' A' ' 72' ' ' GLU . 14.6 mmt -90.42 177.49 6.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 0.9 OUTLIER -90.04 176.92 6.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.348 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.488 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.5 OUTLIER -61.82 -36.88 82.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -56.63 -50.8 70.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.425 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.5 -47.12 87.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.484 HD12 ' CG ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -56.02 -37.08 68.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -69.32 -37.33 77.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -60.12 -53.08 62.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.421 HG22 ' N ' ' A' ' 85' ' ' ILE . 5.1 m -65.12 -39.03 84.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.476 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -60.7 -37.73 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.72 -26.34 54.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.554 ' OD1' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -79.38 -28.32 41.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.612 HG22 ' CG ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -86.94 -57.36 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.612 ' CG ' HG22 ' A' ' 88' ' ' ILE . 7.9 p90 164.85 147.97 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -177.1 3.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.24 120.82 0.72 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 92' ' ' GLN . 3.4 tm0? -102.96 69.25 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.3 p -144.03 148.44 35.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.467 ' HA ' ' CG2' ' A' ' 62' ' ' THR . 13.9 pt20 -65.86 160.4 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 110.287 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.61 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -164.96 -177.88 4.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.13 133.09 55.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 24' ' ' THR . 50.4 t -114.85 138.26 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.476 HD13 ' CG2' ' A' ' 58' ' ' THR . 6.9 mm -126.25 111.89 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.412 ' CG ' HG23 ' A' ' 23' ' ' ILE . 7.4 tt0 -96.08 141.7 29.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.539 ' CB ' HD13 ' A' ' 53' ' ' ILE . 1.5 p90 -146.75 173.22 12.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -146.27 155.38 42.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 10.5 t -91.79 125.07 36.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.343 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.99 -42.8 10.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.571 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 1.2 tp -164.02 142.64 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.454 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -111.33 165.59 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.422 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.571 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 9.6 m-85 -155.7 130.9 9.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.609 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 6.3 t80 -37.26 157.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -49.86 -51.67 38.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.591 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 4.1 mtt-85 -49.39 -46.11 46.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -31.94 72.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -53.15 44.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.09 -45.5 79.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.5 -45.01 81.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.2 mt -61.77 -45.01 99.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.26 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -25.65 63.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.82 11.75 14.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 67.54 -115.92 7.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 42.69 94.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 0.774 . . . . 0.0 110.301 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -38.95 134.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -139.18 148.06 42.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.519 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -98.31 152.32 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.538 ' O ' ' CG1' ' A' ' 97' ' ' VAL . 34.4 p -118.0 172.63 7.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.445 ' C ' ' HD2' ' A' ' 26' ' ' ARG . 4.3 mp -130.71 128.39 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.564 ' NH2' ' CE1' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -125.24 171.82 10.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -109.8 129.69 55.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 31' ' ' SER . 14.9 tp10 -54.31 -35.09 62.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 t -62.88 -12.7 26.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 31' ' ' SER . 10.1 mm-40 -120.38 11.13 11.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.31 131.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.564 ' CE1' ' NH2' ' A' ' 26' ' ' ARG . 0.4 OUTLIER -148.39 -122.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.567 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.467 ' O ' ' O ' ' A' ' 32' ' ' HIS . 4.6 m-30 -44.3 175.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.88 -164.33 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.7 m -74.55 158.77 33.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.86 16.02 80.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.37 -171.55 2.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -106.81 147.91 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.0 mt -129.48 106.05 8.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -70.88 134.19 47.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.434 HG12 ' CG2' ' A' ' 53' ' ' ILE . 13.8 m -115.12 140.29 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.76 -141.33 4.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.504 0.767 . . . . 0.0 110.288 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 m -128.11 154.23 45.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.392 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.584 HD13 ' CD2' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -141.13 172.56 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -121.89 145.25 48.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.466 HG11 ' CG2' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -75.38 151.67 6.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 100' ' ' PHE . 5.1 t -125.18 -45.99 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.16 170.2 18.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.489 ' CG2' HD13 ' A' ' 98' ' ' ILE . 1.4 m -148.38 149.0 30.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.16 169.05 25.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.5 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -110.81 105.85 14.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.356 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.526 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.97 173.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.475 ' HB ' ' OG1' ' A' ' 65' ' ' THR . 6.0 m -72.38 -152.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.41 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.6 OUTLIER -102.4 -66.92 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.94 -6.7 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.475 ' OG1' ' HB ' ' A' ' 62' ' ' THR . 1.0 OUTLIER -77.1 -2.45 34.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' ' 67' ' ' THR . 3.4 pp -173.24 -43.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.567 ' N ' ' O ' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -43.12 149.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.441 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.06 -22.91 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.244 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.517 ' CB ' ' CG2' ' A' ' 67' ' ' THR . 0.4 OUTLIER -49.24 -30.37 7.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -63.95 -52.67 58.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.612 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.17 90.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 76' ' ' MET . 15.7 tt0 -64.0 -44.68 91.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.432 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -53.63 -38.35 63.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.628 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 5.5 tt0 -92.46 20.96 5.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -135.68 -59.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.511 ' HB2' ' CD2' ' A' ' 81' ' ' LEU . 25.9 mmt -91.14 177.23 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 t -83.49 -179.15 7.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.35 -36.66 74.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.14 -53.95 52.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.63 -48.86 79.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.511 ' CD2' ' HB2' ' A' ' 76' ' ' MET . 0.3 OUTLIER -51.28 -48.56 62.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -32.54 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -52.66 62.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.486 HG23 ' N ' ' A' ' 85' ' ' ILE . 20.2 m -65.36 -38.45 82.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.486 ' N ' HG23 ' A' ' 84' ' ' VAL . 3.8 mt -56.94 -37.99 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.18 -34.86 63.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.609 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -71.97 -27.68 62.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.675 HG21 ' CG ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -91.95 -57.56 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.675 ' CG ' HG21 ' A' ' 88' ' ' ILE . 1.8 p90 161.45 162.47 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.488 ' O ' ' C ' ' A' ' 91' ' ' GLY . 18.3 Cg_endo -75.02 -92.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 90' ' ' PRO . . . 30.4 88.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.635 ' O ' ' CG ' ' A' ' 92' ' ' GLN . 4.5 tt0 -101.52 44.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.51 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 34.6 p -151.47 151.83 32.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.44 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 93' ' ' THR . 13.6 mt-30 -36.81 146.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.526 ' O ' ' O ' ' A' ' 61' ' ' VAL . 8.4 m-85 -158.94 -178.83 7.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.41 144.26 42.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 111.061 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.538 ' CG1' ' O ' ' A' ' 24' ' ' THR . 74.2 t -130.95 132.06 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.489 HD13 ' CG2' ' A' ' 58' ' ' THR . 4.0 mm -124.25 126.18 71.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.519 ' HA ' ' HA ' ' A' ' 23' ' ' ILE . 11.2 tt0 -95.48 157.07 16.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.584 ' CD2' HD13 ' A' ' 53' ' ' ILE . 9.7 p90 -146.83 167.48 23.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.41 139.11 40.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.9 t -92.68 123.99 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.325 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.448 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 1.9 t30 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.609 ' CG ' ' CE2' ' A' ' 33' ' ' PHE . 5.4 m-20 -90.84 -54.04 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.528 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 2.2 tt -160.54 143.52 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.404 ' C ' ' CG ' ' A' ' 8' ' ' PHE . 1.8 p -106.07 173.23 6.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.528 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 33.2 m-85 -154.78 131.86 10.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.606 ' CE1' ' OD1' ' A' ' 87' ' ' ASP . 4.5 t80 -40.11 162.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.32 -46.41 88.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.583 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 3.5 mtt-85 -57.07 -38.3 73.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.687 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 3.8 m-85 -63.55 -40.25 96.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -53.46 46.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -58.39 -44.29 88.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -45.68 74.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 20' ' ' ARG . 37.9 mt -58.86 -44.02 89.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -33.65 70.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.67 17.37 22.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 20' ' ' ARG . . . -143.68 -78.92 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.533 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.9 tpm_? 86.71 26.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.47 100.26 0.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.622 ' O ' ' CE1' ' A' ' 100' ' ' PHE . 1.8 m -154.32 156.37 36.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.562 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -103.24 158.53 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.503 ' O ' ' CG1' ' A' ' 97' ' ' VAL . 21.7 p -127.16 173.35 9.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.726 ' CG2' ' CD1' ' A' ' 95' ' ' PHE . 4.3 mp -130.64 142.27 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.512 ' CG ' HG12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -139.59 171.83 13.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -99.87 128.93 45.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -55.83 -39.61 71.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.67 -13.73 25.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -120.06 9.15 11.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.17 111.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.48 ' NE2' ' NH2' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -110.78 -129.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.611 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.609 ' CE2' ' CG ' ' A' ' 5' ' ' ASP . 42.2 m-85 -43.13 168.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.0 -164.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.417 ' HA ' ' HB ' ' A' ' 55' ' ' VAL . 17.2 m -73.44 152.03 40.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 110.37 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.67 -14.34 42.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.451 1.094 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -87.08 -171.06 3.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 0.73 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.492 ' CG1' ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -108.23 151.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.507 ' CD2' ' NH2' ' A' ' 26' ' ' ARG . 18.0 mt -128.49 112.54 14.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.39 109.05 5.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.4 t -82.67 140.01 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -156.29 147.18 15.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.437 0.728 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.492 ' CG2' ' CG1' ' A' ' 38' ' ' VAL . 3.0 m -125.91 142.44 51.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.55 ' CD1' ' C ' ' A' ' 53' ' ' ILE . 0.7 OUTLIER -134.52 171.92 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.461 ' N ' ' CD1' ' A' ' 53' ' ' ILE . 1.6 mt-10 -116.23 143.44 45.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -72.06 145.81 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.453 ' CG2' ' HB3' ' A' ' 99' ' ' GLU . 9.9 t -114.14 -47.07 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.433 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.46 169.26 22.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.526 ' CG2' HD12 ' A' ' 98' ' ' ILE . 1.4 m -155.93 139.37 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.81 164.79 35.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.518 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 1.2 p -93.81 120.99 34.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.382 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.518 ' CG2' ' C ' ' A' ' 60' ' ' THR . 0.0 OUTLIER -159.67 174.22 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.469 ' C ' ' OG1' ' A' ' 65' ' ' THR . 1.7 m -77.59 -155.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.438 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' A' ' 67' ' ' THR . 1.0 OUTLIER -98.5 -66.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.412 ' CB ' ' HD3' ' A' ' 69' ' ' LYS . 4.1 t0 -61.01 -8.59 3.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.469 ' OG1' ' C ' ' A' ' 62' ' ' THR . 1.4 p -74.48 -3.04 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -171.91 -42.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.578 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.2 t -42.87 154.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -48.91 -23.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.499 ' HG2' ' CD1' ' A' ' 81' ' ' LEU . 52.8 tttt -48.55 -29.91 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -70.68 -56.07 7.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.598 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.64 -50.35 74.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -61.57 -43.07 99.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.254 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.499 ' CB ' ' O ' ' A' ' 69' ' ' LYS . 8.1 tt0 -50.56 -38.75 46.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -101.05 31.4 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -148.11 -59.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.545 ' N ' ' O ' ' A' ' 72' ' ' GLU . 12.8 mmt -90.49 178.01 6.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 6.0 t -84.66 -173.86 4.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.424 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.461 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.1 OUTLIER -70.81 -41.69 71.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.4 m -57.54 -46.68 83.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.406 ' CB ' ' HB3' ' A' ' 76' ' ' MET . 0.0 OUTLIER -59.57 -40.84 88.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.499 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -61.71 -38.42 87.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -71.42 -29.58 65.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -53.33 16.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.6 m -64.75 -39.82 86.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.502 ' CD1' HD12 ' A' ' 63' ' ' LEU . 1.7 mm -62.52 -38.73 82.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.75 -20.91 52.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.606 ' OD1' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -85.87 -28.46 24.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.687 ' CD1' ' CZ ' ' A' ' 12' ' ' PHE . 2.3 tt -84.33 -58.07 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.632 ' CD2' HG21 ' A' ' 88' ' ' ILE . 16.3 p90 172.07 135.39 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 161.01 39.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.553 1.818 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.82 122.77 5.03 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -107.79 80.94 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 0.794 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.662 ' O ' ' CE2' ' A' ' 95' ' ' PHE . 22.9 p -144.62 153.56 41.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -68.86 147.65 51.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.329 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.726 ' CD1' ' CG2' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -162.78 -178.65 6.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.494 ' CD1' HG23 ' A' ' 60' ' ' THR . 0.8 OUTLIER -65.93 149.84 49.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 24' ' ' THR . 78.2 t -132.2 123.62 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.526 HD12 ' CG2' ' A' ' 58' ' ' THR . 2.8 mm -112.05 128.33 68.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.562 ' HA ' ' HA ' ' A' ' 23' ' ' ILE . 13.9 tt0 -98.04 152.54 19.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.622 ' CE1' ' O ' ' A' ' 22' ' ' THR . 20.3 p90 -138.29 152.21 48.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -155.27 145.94 22.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.466 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 6.5 t -92.72 128.39 38.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.322 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.41 ' ND2' ' HB3' ' A' ' 40' ' ' ARG . 2.4 t-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -107.23 -42.93 4.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.556 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -164.95 138.53 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.493 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 5.0 p -100.73 176.89 5.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.632 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 59.8 m-85 -159.33 128.56 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.789 ' CZ ' ' CD2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -36.64 154.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 110.984 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -49.59 -47.42 49.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -48.92 -32.77 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.789 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -75.42 -32.58 60.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -42.77 89.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -69.74 -52.48 25.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.22 -47.84 74.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.6 mt -55.92 -46.2 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -24.55 57.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.97 -2.29 29.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 56.75 62.61 6.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 21' ' ' LYS . 15.3 mtt180 -127.34 97.21 4.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -36.15 106.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.423 HG22 ' CE1' ' A' ' 12' ' ' PHE . 24.5 m -118.19 151.74 37.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.45 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.501 HG22 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -95.95 158.1 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 31.1 p -130.62 162.81 28.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.405 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.707 ' CG2' ' CD1' ' A' ' 95' ' ' PHE . 4.3 mp -121.74 141.42 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.531 ' NH1' ' CD1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -143.24 171.35 14.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 29' ' ' SER . 16.0 t0 -101.36 134.21 44.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 5.9 tp10 -48.55 -52.84 20.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.439 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 78.9 p -57.24 -17.53 12.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -129.73 32.91 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -54.41 -170.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.548 ' CE1' HG22 ' A' ' 98' ' ' ILE . 26.0 p-80 -113.61 -146.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.624 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -94.61 -67.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.033 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -177.61 -165.05 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.2 m -96.6 154.43 17.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.419 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.26 -14.39 45.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.46 -174.18 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.445 ' CG1' ' CG2' ' A' ' 52' ' ' THR . 1.1 t -105.52 141.53 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.473 ' O ' ' CG1' ' A' ' 53' ' ' ILE . 14.8 mt -123.75 103.93 8.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.41 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -57.03 117.18 3.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.342 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.0 p -95.75 143.62 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.01 -131.89 2.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.445 ' CG2' ' CG1' ' A' ' 38' ' ' VAL . 23.8 m -123.12 140.94 52.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.661 ' CD1' ' CG ' ' A' ' 100' ' ' PHE . 1.2 pt -126.6 171.99 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -127.27 136.34 51.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -68.97 164.58 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.3 t -138.62 -45.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.59 169.08 19.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.518 ' OG1' ' CG2' ' A' ' 98' ' ' ILE . 1.8 m -155.68 138.46 15.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -158.25 166.35 32.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.496 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -99.71 119.23 37.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.519 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -159.71 175.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.477 ' C ' ' OG1' ' A' ' 65' ' ' THR . 0.2 OUTLIER -77.29 -154.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 67' ' ' THR . 1.0 OUTLIER -97.86 -66.58 0.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.404 ' H ' ' HG ' ' A' ' 63' ' ' LEU . 1.8 t0 -61.9 -7.02 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.248 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.477 ' OG1' ' C ' ' A' ' 62' ' ' THR . 1.2 p -76.69 -2.64 33.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.44 HD11 ' N ' ' A' ' 67' ' ' THR . 1.0 OUTLIER -172.82 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.573 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.1 t -41.92 153.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.389 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.56 -22.81 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.517 ' HB3' ' CG2' ' A' ' 67' ' ' THR . 52.0 tttt -48.72 -31.99 7.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -69.17 -55.81 9.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.579 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.7 68.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -71.77 -44.91 63.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.509 ' CA ' HD12 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -50.59 -34.15 24.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.91 29.76 4.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -150.72 -60.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.557 ' N ' ' O ' ' A' ' 72' ' ' GLU . 18.1 mmt -90.21 177.97 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 8.6 t -90.2 -167.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.2 OUTLIER -72.11 -39.82 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -55.64 -55.44 32.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 76' ' ' MET . 1.3 mt-10 -56.03 -43.88 78.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.509 HD12 ' CA ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -59.88 -34.83 73.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -30.59 64.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -53.15 30.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.436 HG21 ' N ' ' A' ' 85' ' ' ILE . 11.5 m -59.88 -41.55 86.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.493 ' CD1' ' HD2' ' A' ' 69' ' ' LYS . 6.7 mm -60.15 -40.37 83.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.64 -23.93 60.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.68 -28.99 27.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.647 ' O ' ' HB3' ' A' ' 89' ' ' TYR . 1.7 tt -83.69 -57.89 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.647 ' HB3' ' O ' ' A' ' 88' ' ' ILE . 10.4 p90 161.92 143.55 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 148.23 34.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.7 125.15 5.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.29 71.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.636 ' O ' ' CZ ' ' A' ' 95' ' ' PHE . 17.8 p -127.51 152.09 48.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -74.29 152.86 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.707 ' CD1' ' CG2' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -163.13 -178.09 5.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.14 151.16 46.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.495 ' CG1' HG23 ' A' ' 23' ' ' ILE . 64.8 t -136.78 124.6 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.548 HG22 ' CE1' ' A' ' 32' ' ' HIS . 1.8 mm -113.85 122.3 67.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.501 ' CG ' HG22 ' A' ' 23' ' ' ILE . 17.5 tt0 -96.36 146.06 25.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.661 ' CG ' ' CD1' ' A' ' 53' ' ' ILE . 3.8 p90 -147.45 165.65 29.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 111.001 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.423 ' HB2' ' CG ' ' A' ' 21' ' ' LYS . 2.1 pttt -139.18 150.96 46.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 7.5 t -91.61 127.15 36.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 108.313 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.421 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 4.7 t30 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.602 ' CG ' ' CE2' ' A' ' 33' ' ' PHE . 16.1 m-20 -106.27 -45.65 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.578 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 11.2 tt -164.28 150.64 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.581 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.3 p -114.04 165.95 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.434 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.584 ' CE1' HG21 ' A' ' 24' ' ' THR . 48.9 m-85 -156.13 125.34 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.616 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -45.68 172.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.11 -41.45 96.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.413 ' C ' ' OE1' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -49.22 -42.68 41.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.509 ' CD2' ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -65.09 -36.88 85.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 111.001 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -46.32 74.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.2 -48.84 80.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -59.03 -39.03 80.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.483 ' CG2' ' HB2' ' A' ' 102' ' ' CYS . 30.6 mt -62.29 -45.33 99.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.96 -24.67 62.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.91 14.51 8.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 69.18 -124.63 16.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 43.03 93.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 110.26 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -37.49 103.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 m -81.11 139.34 35.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.494 HG21 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -103.32 148.66 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.584 HG21 ' CE1' ' A' ' 8' ' ' PHE . 50.4 p -125.47 172.79 9.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.382 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.419 ' CD1' ' OH ' ' A' ' 89' ' ' TYR . 4.4 mp -122.72 140.83 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.457 ' CG ' HG12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -139.65 171.42 14.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -102.32 132.52 48.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.04 -37.47 77.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -8.2 37.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 31' ' ' SER . 2.8 mt-10 -118.6 1.36 11.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -37.15 116.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.424 ' O ' ' O ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -118.73 -128.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.567 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.602 ' CE2' ' CG ' ' A' ' 5' ' ' ASP . 40.9 m-85 -42.89 168.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.14 -169.9 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.406 ' HA ' ' HB ' ' A' ' 55' ' ' VAL . 7.5 m -71.52 151.97 43.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.12 -13.55 49.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.406 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -89.06 -169.5 2.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 0.778 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.2 t -107.88 146.56 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 53' ' ' ILE . 14.7 mt -122.9 113.34 18.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 134.54 53.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 42' ' ' GLY . 63.4 t -128.13 165.94 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.457 ' N ' ' CG1' ' A' ' 41' ' ' VAL . . . 176.15 93.84 0.09 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 110.324 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.4 m -151.22 144.55 24.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.604 HD11 ' CG ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -144.07 170.27 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.556 ' N ' ' CD1' ' A' ' 53' ' ' ILE . 4.6 tt0 -125.7 132.65 52.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.42 ' CG2' HD12 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -60.51 161.97 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.412 ' CG2' ' N ' ' A' ' 57' ' ' ALA . 3.2 t -139.45 -46.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -148.26 169.39 20.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.527 ' CG2' HD11 ' A' ' 98' ' ' ILE . 1.3 m -152.18 145.04 24.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.68 168.53 27.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.489 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -102.69 112.19 24.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.39 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.524 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -158.74 175.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.506 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 6.7 m -84.12 -154.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.654 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.6 OUTLIER -96.84 -71.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -56.23 -9.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.506 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 3.6 p -78.3 1.36 22.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.423 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.447 HD11 ' N ' ' A' ' 67' ' ' THR . 2.5 pp -177.56 -41.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.654 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.0 OUTLIER -42.97 152.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.413 ' OE1' ' C ' ' A' ' 11' ' ' ARG . 1.1 mt-10 -49.64 -23.48 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.542 ' HB3' ' CG2' ' A' ' 67' ' ' THR . 22.0 tttt -48.88 -29.56 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -72.39 -54.59 8.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.591 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.84 -38.75 73.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 76' ' ' MET . 2.8 tt0 -72.03 -43.66 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.477 ' CG ' HD12 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -49.07 -36.5 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.9 25.63 4.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.1 t-20 -145.5 -63.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.53 ' N ' ' O ' ' A' ' 72' ' ' GLU . 17.2 mmt -90.61 178.1 6.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 2.0 t -96.86 173.43 7.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.359 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.406 ' N ' ' OG1' ' A' ' 77' ' ' THR . 2.0 mp -55.02 -34.48 63.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -56.46 -57.6 11.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -45.4 93.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.493 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -53.79 -41.26 67.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -34.52 72.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.79 -54.13 43.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.498 ' O ' ' CG1' ' A' ' 88' ' ' ILE . 13.9 m -63.94 -49.22 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.461 ' CD1' ' HD2' ' A' ' 69' ' ' LYS . 2.8 mm -52.19 -41.39 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.58 -23.62 59.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.616 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -80.98 -29.06 35.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.572 HG22 ' CD2' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -90.4 -63.18 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.572 ' CD2' HG22 ' A' ' 88' ' ' ILE . 6.7 p90 171.44 143.34 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -167.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.28 114.86 0.19 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.433 ' HA ' ' CD2' ' A' ' 63' ' ' LEU . 1.5 tm0? -115.4 68.64 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.1 p -143.36 151.88 40.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 110.368 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -41.92 142.94 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.524 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.7 m-85 -161.17 -177.36 6.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.65 133.01 37.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 24' ' ' THR . 55.2 t -116.28 138.23 47.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.527 HD11 ' CG2' ' A' ' 58' ' ' THR . 4.4 mm -128.83 118.67 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.494 ' CG ' HG21 ' A' ' 23' ' ' ILE . 6.9 tt0 -95.12 140.97 29.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.604 ' CG ' HD11 ' A' ' 53' ' ' ILE . 4.9 p90 -148.91 169.27 20.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.425 ' HE2' ' N ' ' A' ' 21' ' ' LYS . 17.2 mttt -127.9 155.16 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.483 ' HB2' ' CG2' ' A' ' 16' ' ' ILE . 4.0 t -79.18 104.82 10.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 108.248 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -107.99 -41.03 5.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.546 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -164.41 140.13 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.431 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -102.13 160.51 14.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.546 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 18.6 m-85 -144.61 120.5 10.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.615 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 7.8 t80 -40.8 158.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.82 -54.45 19.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.585 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 11.6 mtp-105 -51.55 -48.98 62.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.683 ' CE1' ' CD1' ' A' ' 88' ' ' ILE . 7.4 m-85 -63.83 -33.7 76.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.049 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -46.9 72.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -58.6 -49.64 76.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.254 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.63 -49.09 71.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.0 mt -58.51 -42.1 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -24.06 58.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.44 -2.11 27.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 56.61 38.56 82.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -102.9 101.13 11.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 110.331 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -36.61 104.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.3 m -124.41 155.51 38.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.485 ' CG2' ' HG3' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -99.86 154.7 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.581 HG22 ' CE2' ' A' ' 100' ' ' PHE . 81.2 p -138.08 174.27 10.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.462 ' CD1' ' HB ' ' A' ' 67' ' ' THR . 3.5 mp -124.47 141.16 45.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.529 ' CG ' HG12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -135.49 171.46 14.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.584 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 19.1 t0 -100.03 131.25 46.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -53.99 -43.85 70.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -60.1 -18.65 48.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.999 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' SER . 19.3 mt-10 -120.43 16.72 12.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.51 155.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -93.92 -142.78 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.617 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.9 -66.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.12 -171.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.4 m -81.97 153.88 26.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.98 -14.28 44.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.89 -170.08 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.488 ' CG1' ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -107.44 153.0 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.403 ' N ' HG13 ' A' ' 38' ' ' VAL . 11.6 mt -134.58 108.87 8.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.69 129.7 42.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.514 HG21 ' CD1' ' A' ' 8' ' ' PHE . 7.6 p -111.22 135.83 49.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 43' ' ' ARG . . . -118.46 -134.69 5.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 42' ' ' GLY . 1.4 ttt180 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 110.267 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.477 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 81.1 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.488 ' CG2' ' CG1' ' A' ' 38' ' ' VAL . 63.8 m -150.93 155.68 39.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.534 HD12 ' CG ' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -141.17 168.07 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.482 ' N ' ' CD1' ' A' ' 53' ' ' ILE . 0.9 OUTLIER -118.65 137.54 53.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.84 160.54 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 57' ' ' ALA . 9.7 t -136.96 -44.84 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -149.03 168.58 22.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.511 ' CG2' HD12 ' A' ' 98' ' ' ILE . 1.3 m -148.93 151.46 34.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.428 ' N ' HG23 ' A' ' 58' ' ' THR . 0.0 OUTLIER -157.62 168.95 25.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.505 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -115.83 106.43 13.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.409 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.528 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.36 173.28 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.479 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 1.1 m -69.62 -154.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.619 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -100.7 -71.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.402 ' CG ' ' HD3' ' A' ' 69' ' ' LYS . 4.0 t0 -56.41 -8.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.48 ' H ' ' C ' ' A' ' 63' ' ' LEU . 2.1 p -74.97 -3.72 33.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.408 HD11 ' C ' ' A' ' 66' ' ' LEU . 3.9 pp -175.21 -39.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.619 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.1 t -41.71 151.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -51.94 -23.54 5.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.565 ' HB3' ' CG2' ' A' ' 67' ' ' THR . 2.7 tttm -48.16 -39.62 21.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.464 ' HD1' ' N ' ' A' ' 71' ' ' ALA . 0.3 OUTLIER -63.56 -52.69 59.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.59 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.464 ' N ' ' HD1' ' A' ' 70' ' ' HIS . . . -52.11 -43.39 63.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 76' ' ' MET . 2.1 tt0 -67.36 -43.72 80.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.495 ' HB2' ' CD1' ' A' ' 81' ' ' LEU . 2.6 tt0 -49.62 -34.74 18.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.631 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 6.7 tt0 -92.42 20.37 6.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' GLU . 7.1 t-20 -142.56 -62.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.531 ' N ' ' O ' ' A' ' 72' ' ' GLU . 33.6 mmt -90.27 178.31 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 1.4 t -87.38 178.82 6.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.488 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.9 OUTLIER -67.77 -38.3 83.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.1 m -56.55 -56.57 19.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -54.38 -45.53 72.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.527 ' CD2' ' HB3' ' A' ' 72' ' ' GLU . 6.6 mt -60.34 -31.15 70.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -35.66 70.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -53.6 31.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.1 m -62.88 -44.27 99.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 81' ' ' LEU . 2.0 mm -56.05 -41.55 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.28 -26.96 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.615 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -79.54 -27.8 41.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.683 ' CD1' ' CE1' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -88.65 -57.27 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.677 ' CG ' HG21 ' A' ' 88' ' ' ILE . 7.2 p90 164.78 146.57 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -163.66 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.27 115.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.438 ' HA ' ' CD2' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -115.2 52.32 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 110.28 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 94' ' ' GLN . 22.3 p -132.51 152.74 51.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.424 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 93' ' ' THR . 7.5 mt-30 -34.32 144.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -161.83 -178.12 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -76.43 141.85 41.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.093 . . . . 0.0 111.008 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.506 ' HA ' ' O ' ' A' ' 24' ' ' THR . 52.9 t -130.23 134.42 62.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.529 HG12 ' CG ' ' A' ' 26' ' ' ARG . 3.9 mm -127.75 121.72 57.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.485 ' HG3' ' CG2' ' A' ' 23' ' ' ILE . 12.0 tt0 -95.27 133.82 38.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.581 ' CE2' HG22 ' A' ' 24' ' ' THR . 23.7 p90 -148.96 169.08 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -136.04 157.73 46.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -91.38 125.3 36.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 6' ' ' ILE . 10.2 t-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -115.88 -37.79 3.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.557 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 6.4 tt -154.83 135.71 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -102.94 161.67 13.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.557 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 53.0 m-85 -146.17 114.89 6.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.618 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 6.9 t80 -48.97 166.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.417 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.5 OUTLIER -53.82 -45.36 70.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.04 -47.74 83.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -39.62 93.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -46.33 82.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -57.54 -46.58 83.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.96 -47.23 78.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.1 mt -56.08 -42.7 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -24.46 62.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.31 -6.81 51.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . 84.01 -46.24 3.62 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 19' ' ' GLY . 4.3 mtt180 -38.2 100.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.35 156.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 m -152.89 151.13 30.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.406 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.504 HG21 ' CG ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -97.01 154.12 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.52 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 18.2 p -124.71 173.73 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.458 ' CD1' ' HB ' ' A' ' 67' ' ' THR . 3.8 mp -132.72 135.04 57.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -136.45 171.0 15.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.253 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' SER . 16.6 t0 -97.89 130.42 44.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 28' ' ' GLU . 4.4 tp10 -47.16 -47.86 23.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.435 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 7.4 p -56.59 -21.12 24.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.4 mt-10 -129.48 27.45 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' ASP . 4.9 t -128.67 96.56 4.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.021 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -149.13 114.51 5.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.583 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -178.19 -156.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.84 165.21 28.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.6 m -85.55 167.27 15.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.02 13.73 60.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.61 -171.66 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.336 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.469 ' CG1' ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -99.84 149.55 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.472 ' O ' HG13 ' A' ' 53' ' ' ILE . 9.3 mt -135.15 112.47 10.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.08 130.82 48.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 51' ' ' CYS . 3.0 p -115.15 134.57 57.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -152.98 134.43 4.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.417 ' NE ' ' HA ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.464 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 97.7 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.469 ' CG2' ' CG1' ' A' ' 38' ' ' VAL . 8.1 m -151.31 151.33 31.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.577 HD13 ' CD2' ' A' ' 100' ' ' PHE . 1.1 pp -138.7 172.45 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -121.19 137.53 54.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.09 156.26 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.8 t -128.7 -43.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.071 . . . . 0.0 110.363 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -155.43 169.74 23.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.518 ' CG2' HD11 ' A' ' 98' ' ' ILE . 1.3 m -149.8 150.2 31.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.421 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.39 169.45 24.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.485 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -112.49 108.75 17.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.508 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -157.16 173.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.495 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 1.1 m -70.78 -153.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.565 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.8 OUTLIER -101.54 -71.62 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.497 ' OD1' ' CE ' ' A' ' 69' ' ' LYS . 1.8 t0 -58.49 -8.76 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.364 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.495 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.1 p -71.32 -8.3 52.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.421 HD12 ' CG1' ' A' ' 97' ' ' VAL . 2.0 pp -170.8 -40.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.565 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.2 t -42.05 154.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.4 -23.73 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.497 ' CE ' ' OD1' ' A' ' 64' ' ' ASP . 30.5 tttt -48.14 -30.29 4.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -75.86 -51.23 12.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.607 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.13 -52.6 62.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.551 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.5 OUTLIER -64.17 -41.93 96.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.526 ' CA ' HD11 ' A' ' 81' ' ' LEU . 4.6 tt0 -48.43 -35.68 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.0 26.32 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.4 m-20 -147.5 -62.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.551 ' N ' ' O ' ' A' ' 72' ' ' GLU . 25.4 mmt -90.48 178.19 6.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.0 t -85.71 -179.94 6.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.58 -38.19 70.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -55.36 34.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.15 -47.09 72.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.526 HD11 ' CA ' ' A' ' 73' ' ' GLN . 9.8 mt -58.33 -32.9 68.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.03 -35.08 71.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -54.06 32.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 85' ' ' ILE . 4.7 m -62.72 -46.5 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.485 ' CD1' ' HD2' ' A' ' 69' ' ' LYS . 1.9 mm -55.3 -40.29 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.88 -26.18 62.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.618 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -81.16 -28.11 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.703 HG22 ' CG ' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -85.83 -57.54 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.703 ' CG ' HG22 ' A' ' 88' ' ' ILE . 2.9 p90 162.89 153.42 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.24 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.442 1.759 . . . . 0.0 111.039 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.501 ' O ' ' CD2' ' A' ' 63' ' ' LEU . . . 84.93 111.92 0.68 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.552 1.158 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.12 40.08 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.537 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 23.6 p -135.98 152.4 50.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.492 ' O ' ' CD1' ' A' ' 95' ' ' PHE . 5.3 mt-30 -33.75 145.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' A' ' 93' ' ' THR . 8.4 m-85 -161.5 -178.14 6.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.61 134.08 36.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 24' ' ' THR . 74.7 t -119.14 130.3 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.518 HD11 ' CG2' ' A' ' 58' ' ' THR . 3.8 mm -120.4 123.43 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.504 ' CG ' HG21 ' A' ' 23' ' ' ILE . 11.3 tt0 -97.13 144.34 27.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.577 ' CD2' HD13 ' A' ' 53' ' ' ILE . 9.0 p90 -148.77 172.08 15.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.3 pttm -147.2 150.25 34.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.2 t -92.85 126.15 37.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.3 mtt . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.541 0.21 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -149.35 144.5 17.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.93 17.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.452 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 1.7 t30 -88.0 159.51 18.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.508 ' OD2' ' CE2' ' A' ' 33' ' ' PHE . 5.4 m-20 -94.42 -53.63 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.532 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 10.1 tt -150.61 142.76 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.577 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 2.3 p -104.94 176.34 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.425 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.577 ' CD1' ' C ' ' A' ' 7' ' ' THR . 45.8 m-85 -162.19 117.46 1.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.606 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 6.8 t80 -37.41 155.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.427 ' HA ' ' CG ' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -49.37 -47.55 47.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.254 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.581 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 4.2 mtt180 -59.33 -47.97 83.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -65.01 -38.08 89.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -46.39 84.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -59.12 -48.58 81.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -36.49 74.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.3 mt -64.07 -45.27 97.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.16 -24.64 59.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.84 7.93 19.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 76.21 -120.27 5.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER 43.01 94.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 110.227 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.92 148.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.9 m -150.51 155.66 39.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.495 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -96.46 155.93 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.541 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 21.6 p -123.12 173.68 7.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.489 HD12 ' CB ' ' A' ' 67' ' ' THR . 3.2 mp -136.53 129.38 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.64 ' NH2' ' CD2' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -131.08 172.0 12.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.436 ' OD2' ' N ' ' A' ' 28' ' ' GLU . 16.6 t0 -108.65 129.72 55.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.436 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 2.3 tp10 -49.54 -44.49 46.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 t -60.89 -14.84 24.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' SER . 1.8 mt-10 -122.94 17.42 10.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.04 104.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.64 ' CD2' ' NH2' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -85.29 -138.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.508 ' CE2' ' OD2' ' A' ' 5' ' ' ASP . 1.5 m-85 -54.54 -167.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.052 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -138.55 -172.6 3.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.4 m -72.09 162.79 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.04 14.04 37.08 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.59 -170.12 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -105.27 143.55 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.462 ' CD2' ' NE2' ' A' ' 32' ' ' HIS . 17.3 mt -124.43 104.6 8.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.35 119.97 10.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.437 HG22 ' CD1' ' A' ' 8' ' ' PHE . 9.8 p -100.12 147.39 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 49' ' ' TYR . . . -172.8 147.37 9.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.427 ' CG ' ' HA ' ' A' ' 10' ' ' GLN . 2.4 ttm180 -77.17 135.0 38.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -71.33 -29.53 65.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -48.45 -48.49 37.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 164.93 43.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.05 15.32 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -38.99 156.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.54 ' O ' ' CG ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER 37.93 65.69 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 110.964 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.92 -43.48 7.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.6 m -138.14 174.82 10.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 108.307 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 m -120.43 142.46 49.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.367 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.679 ' CD1' ' CG ' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -130.57 172.66 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -124.72 142.8 51.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.28 160.68 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.5 t -131.35 -41.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -154.13 169.29 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.494 ' CG2' HD11 ' A' ' 98' ' ' ILE . 1.9 m -146.15 151.3 37.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.376 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.427 ' N ' HG21 ' A' ' 58' ' ' THR . 0.0 OUTLIER -157.2 169.37 24.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.952 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.478 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -115.75 108.45 16.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.37 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.496 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -156.24 172.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.5 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 1.3 m -70.04 -153.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.58 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -100.54 -72.81 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.405 ' CB ' ' HD3' ' A' ' 69' ' ' LYS . 2.5 t0 -56.33 -11.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.5 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.2 p -68.17 -8.49 39.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.368 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.444 ' CD1' HG13 ' A' ' 97' ' ' VAL . 1.6 pp -170.51 -39.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.58 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.3 t -42.0 153.6 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.72 -23.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.503 ' HG2' ' CD1' ' A' ' 81' ' ' LEU . 63.5 tttt -49.03 -30.76 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -54.69 11.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.579 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.63 -36.1 69.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -72.37 -45.02 61.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.501 ' CA ' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -50.33 -36.57 32.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.14 27.94 4.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.34 -61.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.558 ' N ' ' O ' ' A' ' 72' ' ' GLU . 13.2 mmt -90.45 177.37 6.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 7.0 t -89.72 -175.37 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.437 ' N ' ' OG1' ' A' ' 77' ' ' THR . 4.9 mp -66.72 -38.86 87.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 49.7 m -56.07 -53.18 60.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.424 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.26 -43.83 92.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.503 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -58.9 -38.36 78.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -72.52 -29.22 63.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.338 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -52.96 28.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.411 HG21 ' N ' ' A' ' 85' ' ' ILE . 6.1 m -63.43 -44.04 98.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.493 ' CD1' ' HD2' ' A' ' 69' ' ' LYS . 2.8 mm -57.35 -40.34 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.27 -25.92 60.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.606 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -80.51 -28.13 37.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.635 ' O ' ' HB3' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -87.95 -57.54 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.635 ' HB3' ' O ' ' A' ' 88' ' ' ILE . 5.9 p90 162.33 150.83 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.92 17.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.8 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.15 119.8 1.78 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.423 ' HA ' ' CD2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -116.05 53.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 110.27 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' GLN . 42.9 p -122.21 152.67 39.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.153 . . . . 0.0 110.436 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 93' ' ' THR . 9.9 mt-30 -37.68 150.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.496 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -161.43 -178.25 6.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.55 132.49 34.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.541 ' HA ' ' O ' ' A' ' 24' ' ' THR . 74.2 t -117.35 133.29 64.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.494 HD11 ' CG2' ' A' ' 58' ' ' THR . 2.6 mm -125.03 126.01 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.495 ' HA ' ' HA ' ' A' ' 23' ' ' ILE . 7.7 tt0 -96.0 146.95 24.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.377 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.679 ' CG ' ' CD1' ' A' ' 53' ' ' ILE . 5.2 p90 -147.98 166.33 28.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.84 152.1 46.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.3 t -91.47 108.66 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 108.294 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mmt . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.481 0.181 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -62.64 124.55 83.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.92 13.68 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.768 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 6' ' ' ILE . 18.3 t-20 -47.7 170.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.487 ' CG ' ' CE2' ' A' ' 33' ' ' PHE . 1.7 m-20 -94.18 -45.94 7.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.487 ' CD1' ' NH1' ' A' ' 26' ' ' ARG . 1.3 tt -163.41 139.29 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 2.6 p -101.49 174.85 5.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.397 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -155.78 130.4 9.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.613 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 7.4 t80 -42.44 162.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.51 -53.18 49.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.577 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 7.4 mtp180 -50.05 -49.09 52.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 68' ' ' GLU . 4.2 m-85 -64.07 -40.11 95.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -49.63 75.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -59.38 -45.57 91.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.66 -39.1 64.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.505 HG12 ' CZ ' ' A' ' 100' ' ' PHE . 5.3 mt -67.73 -46.35 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -25.02 62.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.87 -1.85 27.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.86 60.61 8.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.448 1.093 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -124.25 96.43 4.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 110.294 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -38.63 101.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.33 158.71 27.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -99.69 152.96 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.506 ' O ' ' CG1' ' A' ' 97' ' ' VAL . 64.1 p -118.72 175.1 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.432 ' C ' ' CD ' ' A' ' 26' ' ' ARG . 4.0 mp -127.32 140.36 49.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.487 ' NH1' ' CD1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -141.39 171.75 13.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -107.98 134.21 51.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -55.77 -40.98 73.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.6 p -61.53 -14.77 32.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -119.06 9.29 11.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.26 114.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.412 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -108.86 -135.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.589 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.487 ' CE2' ' CG ' ' A' ' 5' ' ' ASP . 40.6 m-85 -47.88 177.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.44 -164.64 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.3 m -71.23 149.06 46.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.09 -15.39 44.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.26 -169.4 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.46 ' CG1' HG23 ' A' ' 52' ' ' THR . 0.9 OUTLIER -108.83 147.38 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.414 HD12 ' NH2' ' A' ' 26' ' ' ARG . 26.7 mt -127.8 109.13 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.417 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . 6.6 ttt85 -75.75 122.16 23.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.0 m -95.05 124.07 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 7' ' ' THR . . . -135.55 121.79 2.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.43 ' HB3' ' N ' ' A' ' 48' ' ' GLY . 10.4 ttp180 -62.76 157.55 20.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 110.254 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.409 ' C ' ' N ' ' A' ' 46' ' ' ASP . 3.1 t80 -80.37 -47.22 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -39.11 -31.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.314 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 2.3 p-10 177.23 -35.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER 164.75 -21.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.43 ' N ' ' HB3' ' A' ' 43' ' ' ARG . . . 42.15 -134.38 3.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.543 ' O ' ' CG ' ' A' ' 49' ' ' TYR . 56.5 t80 -70.26 57.52 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 0.775 . . . . 0.0 110.984 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 39.6 p90 -54.0 111.09 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.04 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.445 ' SG ' ' CE1' ' A' ' 49' ' ' TYR . 35.9 m -150.64 -174.15 4.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 108.323 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.46 HG23 ' CG1' ' A' ' 38' ' ' VAL . 1.5 m -124.4 151.75 44.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.584 HD13 ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -143.99 172.05 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -114.14 150.86 33.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.24 154.04 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.5 t -123.36 -41.09 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.64 169.71 23.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.525 ' CG2' HD12 ' A' ' 98' ' ' ILE . 1.2 m -148.4 149.46 31.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.401 ' N ' HG21 ' A' ' 58' ' ' THR . 0.0 OUTLIER -156.58 167.84 29.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.051 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.507 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -112.0 110.72 21.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.516 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -157.11 171.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.486 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 1.4 m -68.18 -153.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.392 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -100.47 -71.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.25 -9.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.486 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.2 p -71.66 -5.45 33.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 67' ' ' THR . 3.6 pp -172.54 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.558 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.2 t -42.83 153.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -49.13 -23.6 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.423 1.077 . . . . 0.0 110.264 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.515 ' HB3' ' CG2' ' A' ' 67' ' ' THR . 37.7 tttt -48.2 -32.41 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -67.63 -54.79 16.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.638 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.51 -38.32 71.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -69.61 -44.83 69.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.443 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -51.02 -35.03 32.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.63 28.75 4.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -148.11 -59.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.513 ' N ' ' O ' ' A' ' 72' ' ' GLU . 27.8 mmt -90.53 177.59 6.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.1 t -92.89 171.67 8.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -38.05 66.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.25 -57.76 10.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.411 ' OE1' ' SD ' ' A' ' 76' ' ' MET . 3.2 mt-10 -56.38 -46.26 80.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.511 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -54.45 -37.91 65.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -31.35 65.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -53.37 37.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.427 HG21 ' N ' ' A' ' 85' ' ' ILE . 5.3 m -62.9 -43.92 99.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.473 ' CD1' ' HD2' ' A' ' 69' ' ' LYS . 2.5 mm -57.05 -39.19 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.19 -26.61 60.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.613 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -80.08 -27.61 39.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.623 HG22 ' CG ' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -88.36 -57.64 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.623 ' CG ' HG22 ' A' ' 88' ' ' ILE . 7.7 p90 165.11 148.02 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.26 4.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.81 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.62 113.95 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.434 ' C ' ' CG2' ' A' ' 93' ' ' THR . 2.9 tm0? -110.2 88.68 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 94' ' ' GLN . 15.1 p -149.48 152.6 35.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 93' ' ' THR . 4.7 mt-30 -34.71 144.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.516 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -161.9 -178.75 6.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 111.006 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.29 141.88 36.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 24' ' ' THR . 61.2 t -128.98 134.93 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.525 HD12 ' CG2' ' A' ' 58' ' ' THR . 4.9 mm -127.56 128.67 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.505 ' HA ' ' HA ' ' A' ' 23' ' ' ILE . 14.0 tt0 -96.17 153.74 17.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.586 1.179 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.584 ' CD1' HD13 ' A' ' 53' ' ' ILE . 6.7 p90 -143.18 174.16 10.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -152.51 148.51 27.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.5 t -92.68 130.62 38.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 108.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.0 mtt . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.49 0.186 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 179.78 81.33 0.19 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 170.9 19.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.435 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 2.8 t30 -109.66 159.26 17.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.435 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 3.1 m-20 -93.43 -53.08 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.6 tt -164.04 164.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.586 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -138.9 167.85 21.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.634 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -154.18 162.2 41.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.624 ' CZ ' ' CD2' ' A' ' 12' ' ' PHE . 7.7 p90 -40.23 163.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -37.06 84.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 7.5 mtp-105 -52.65 -19.82 2.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.624 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -79.6 -42.04 25.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -42.14 94.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -69.4 -47.66 63.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -62.73 -31.77 72.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.4 mt -66.89 -47.0 83.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -24.68 58.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.33 1.28 25.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 75.46 -130.98 11.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER 42.96 94.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -37.94 152.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -144.22 145.74 32.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.516 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -95.39 159.2 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.517 ' O ' ' CG1' ' A' ' 97' ' ' VAL . 73.1 p -128.43 171.87 11.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.462 ' CD1' ' HB ' ' A' ' 67' ' ' THR . 5.2 mp -127.78 129.46 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.476 ' CG ' HG12 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -125.14 171.78 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' SER . 6.2 t0 -96.09 129.67 43.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.403 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 6.7 tp10 -47.41 -47.53 26.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -60.74 -23.17 64.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.955 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 27' ' ' ASP . 9.5 mm-40 -121.56 28.29 7.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.549 ' OG ' ' CD2' ' A' ' 96' ' ' TYR . 0.1 OUTLIER -114.73 93.7 4.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -149.66 114.99 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.532 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -176.41 -147.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.07 149.34 15.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.7 m -71.3 158.96 35.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.2 -14.67 48.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -73.95 -175.81 2.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.767 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -105.21 137.25 35.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' ILE . 12.5 mt -117.22 103.98 10.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 128.61 36.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.562 HG23 ' CD1' ' A' ' 8' ' ' PHE . 7.4 p -118.45 160.57 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.97 -122.18 0.59 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.84 127.36 20.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 87' ' ' ASP . 2.7 t80 -74.46 -25.21 59.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -49.03 -48.06 44.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER 169.66 -34.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -39.89 -57.57 1.57 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 49' ' ' TYR . . . 86.27 -158.39 31.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.546 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -32.27 140.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 111.014 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -154.83 -44.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 35.2 m -137.41 -177.74 4.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 108.29 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 m -133.79 153.87 51.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.588 HD12 ' CE1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -142.77 173.02 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 100' ' ' PHE . 4.0 tt0 -124.98 144.43 50.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 0.0 110.27 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.25 150.92 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 57' ' ' ALA . 4.9 t -127.42 -44.19 1.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.411 ' N ' HG22 ' A' ' 56' ' ' THR . . . -153.85 169.26 23.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.51 ' CG2' HD13 ' A' ' 98' ' ' ILE . 1.8 m -144.55 150.54 37.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.46 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.28 168.25 27.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.492 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -115.78 110.57 19.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.509 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.28 173.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.485 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 1.3 m -67.83 -153.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.457 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -100.26 -71.52 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.9 -9.52 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.485 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.2 p -70.74 -6.6 38.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.366 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 97' ' ' VAL . 2.4 pp -171.69 -40.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.552 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.2 t -42.6 153.78 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.369 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -47.68 -23.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.492 ' HD2' ' CD1' ' A' ' 85' ' ' ILE . 28.7 tttt -49.38 -29.63 6.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -72.26 -54.48 9.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.82 76.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -65.07 -43.36 92.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.463 ' N ' HD12 ' A' ' 81' ' ' LEU . 6.9 tt0 -49.8 -36.66 27.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.1 30.07 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -148.5 -59.45 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 72' ' ' GLU . 22.7 mmt -90.55 177.99 6.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.464 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 1.3 t -86.13 176.05 8.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.433 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.464 ' N ' ' OG1' ' A' ' 77' ' ' THR . 8.0 mp -66.12 -37.52 85.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -56.77 -51.93 67.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.78 -47.78 83.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.481 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -56.77 -38.54 72.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -28.91 64.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -52.65 33.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.421 HG21 ' N ' ' A' ' 85' ' ' ILE . 4.6 m -65.21 -44.35 95.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.492 ' CD1' ' HD2' ' A' ' 69' ' ' LYS . 2.6 mm -56.31 -41.25 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.73 -29.75 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.606 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -76.13 -26.51 56.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.649 HG23 ' CG ' ' A' ' 89' ' ' TYR . 0.8 OUTLIER -92.75 -57.74 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.649 ' CG ' HG23 ' A' ' 88' ' ' ILE . 1.9 p90 160.26 162.18 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 91' ' ' GLY . 18.1 Cg_endo -75.05 -90.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.811 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 90' ' ' PRO . . . 32.88 91.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.43 ' C ' ' CG2' ' A' ' 93' ' ' THR . 0.0 OUTLIER -101.21 49.51 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.572 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 20.0 p -150.46 152.42 34.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 110.355 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.2 tt0 -36.21 150.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.572 ' CD2' ' O ' ' A' ' 93' ' ' THR . 10.5 m-85 -159.02 -178.52 7.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.549 ' CD2' ' OG ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -78.63 149.16 32.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 24' ' ' THR . 74.0 t -136.45 130.27 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.51 HD13 ' CG2' ' A' ' 58' ' ' THR . 4.4 mm -123.2 127.27 74.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 23' ' ' ILE . 12.4 tt0 -95.84 147.18 23.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.588 ' CE1' HD12 ' A' ' 53' ' ' ILE . 3.4 p90 -148.26 165.06 32.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -131.42 154.81 48.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 9.1 t -91.76 105.28 17.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.519 0.199 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.89 130.82 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.85 13.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 1.8 t30 -102.0 158.06 16.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 3.7 m-20 -94.6 -52.18 4.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.574 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 14.7 tt -151.1 141.8 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.582 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.9 p -101.36 171.48 7.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.441 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 7' ' ' THR . 57.7 m-85 -162.21 123.1 2.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.614 ' CE1' ' OD1' ' A' ' 87' ' ' ASP . 7.5 t80 -52.38 161.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.442 ' HA ' ' CG ' ' A' ' 43' ' ' ARG . 1.8 tt0 -50.34 -48.12 55.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.57 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 6.6 mtp180 -54.29 -49.06 70.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 68' ' ' GLU . 6.8 m-85 -63.06 -39.14 93.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.653 ' NE2' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -60.08 -48.95 79.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -58.3 -45.74 87.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -28.76 70.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 100' ' ' PHE . 19.7 mt -71.5 -46.42 63.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.52 -24.58 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.37 -5.93 47.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.25 45.99 94.52 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -107.13 100.71 10.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.756 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -38.8 102.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -120.65 150.36 41.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.497 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -95.86 160.36 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.51 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 64.7 p -131.28 173.75 10.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.463 ' CD1' ' HB ' ' A' ' 67' ' ' THR . 4.7 mp -129.81 137.64 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.483 ' NH1' ' CD1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -135.72 171.15 14.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.55 ' HA ' ' CE1' ' A' ' 95' ' ' PHE . 17.4 t0 -97.35 129.71 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -50.18 -45.13 53.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.0 p -57.22 -17.53 11.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.026 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -129.18 16.91 6.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -107.2 95.22 5.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.78 114.11 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.589 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -179.14 -146.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 111.052 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.84 151.51 23.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.0 m -73.85 165.35 25.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.69 14.41 72.58 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.17 -170.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.774 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.479 HG13 ' CG2' ' A' ' 52' ' ' THR . 1.2 t -100.83 149.85 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' ILE . 15.2 mt -135.59 103.41 5.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.75 127.85 27.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.564 HG22 ' CD2' ' A' ' 8' ' ' PHE . 7.2 p -116.83 144.57 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' A' ' 48' ' ' GLY . . . -173.17 146.09 8.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.473 ' CB ' ' HB2' ' A' ' 47' ' ' ASP . 2.1 ttp180 -75.91 126.99 32.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 110.251 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -63.19 -27.78 69.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -44.94 -48.47 11.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.27 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER 159.21 46.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.473 ' HB2' ' CB ' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -100.27 -50.3 3.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.494 ' O ' ' C ' ' A' ' 49' ' ' TYR . . . 83.92 -153.56 29.74 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' CYS . 81.3 t80 -29.98 -46.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 0.72 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.653 ' CD2' ' NE2' ' A' ' 13' ' ' GLN . 3.0 t80 51.9 -86.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.591 ' SG ' ' CE1' ' A' ' 50' ' ' PHE . 47.1 m -148.82 -175.36 4.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 108.326 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.479 ' CG2' HG13 ' A' ' 38' ' ' VAL . 77.3 m -132.62 151.53 51.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.595 ' CD1' ' CG ' ' A' ' 100' ' ' PHE . 3.8 pt -132.52 173.31 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -117.27 144.34 44.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -71.31 156.01 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 57' ' ' ALA . 14.4 t -127.8 -42.55 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.402 ' N ' HG22 ' A' ' 56' ' ' THR . . . -160.59 169.15 23.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.51 ' CG2' HD11 ' A' ' 98' ' ' ILE . 1.2 m -149.17 151.76 34.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.3 168.68 26.57 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.165 . . . . 0.0 110.058 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.5 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -111.99 106.54 15.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.394 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.524 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.08 172.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.441 ' OG1' HG21 ' A' ' 65' ' ' THR . 0.4 OUTLIER -67.89 -152.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.427 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.598 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -103.64 -70.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.69 -9.07 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.462 ' H ' ' C ' ' A' ' 63' ' ' LEU . 1.0 OUTLIER -74.85 -3.81 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.426 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.459 HD11 ' CG1' ' A' ' 97' ' ' VAL . 2.5 pp -172.4 -40.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.598 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.2 t -43.93 154.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -50.78 -22.66 2.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.537 ' HB3' ' CG2' ' A' ' 67' ' ' THR . 70.7 tttt -48.77 -32.67 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -66.87 -54.86 18.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.606 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.99 -36.37 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.572 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -71.52 -45.1 63.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.488 ' CA ' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -49.79 -36.43 26.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.75 29.3 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -149.25 -60.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.572 ' N ' ' O ' ' A' ' 72' ' ' GLU . 28.4 mmt -90.82 177.88 6.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 7.6 t -86.97 -174.5 4.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.439 ' N ' ' OG1' ' A' ' 77' ' ' THR . 4.3 mp -70.4 -38.93 74.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.4 -52.46 64.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.405 ' OE1' ' SD ' ' A' ' 76' ' ' MET . 2.8 mt-10 -57.14 -43.88 82.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.502 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -57.97 -39.01 77.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -70.28 -31.0 68.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -66.12 -53.16 41.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.446 HG23 ' N ' ' A' ' 85' ' ' ILE . 8.8 m -61.92 -38.22 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -61.48 -37.76 78.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.3 -25.81 55.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.614 ' OD1' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -80.1 -30.03 39.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.607 HG22 ' CG ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -84.3 -57.81 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.607 ' CG ' HG22 ' A' ' 88' ' ' ILE . 8.8 p90 166.39 145.73 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 130.99 13.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.506 1.793 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 128.24 121.03 2.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -115.79 72.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.249 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 94' ' ' GLN . 14.9 p -147.24 152.36 38.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 93' ' ' THR . 32.7 mt-30 -35.42 144.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.55 ' CE1' ' HA ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -161.36 -178.14 6.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -80.2 139.74 36.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 24' ' ' THR . 71.8 t -125.3 129.49 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.51 HD11 ' CG2' ' A' ' 58' ' ' THR . 2.6 mm -122.6 130.77 74.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.497 ' HA ' ' HA ' ' A' ' 23' ' ' ILE . 1.6 tt0 -97.15 155.87 16.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.595 ' CG ' ' CD1' ' A' ' 53' ' ' ILE . 5.4 p90 -148.67 157.0 43.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.51 146.82 30.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.4 t -92.18 123.33 35.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 108.311 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.7 mtt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.511 0.196 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 64.76 156.8 0.12 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.93 13.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.431 1.753 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.442 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 0.8 OUTLIER -56.57 159.21 3.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.442 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 56.1 m-20 -99.28 -51.42 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.579 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 7.8 tt -139.65 143.95 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.598 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -107.71 166.76 10.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 7' ' ' THR . 8.3 m-85 -154.05 114.24 3.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.628 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 6.6 t80 -37.16 156.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.51 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -47.86 -51.59 22.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.58 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 19.9 mtp85 -54.36 -45.09 72.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.568 ' CZ ' HG21 ' A' ' 22' ' ' THR . 0.6 OUTLIER -64.94 -39.26 93.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -48.38 81.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -60.16 -48.43 81.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -53.88 -36.81 63.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.24 -44.19 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -26.94 64.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.47 7.79 18.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 75.85 -126.25 8.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER 41.66 93.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 0.787 . . . . 0.0 110.311 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.88 147.04 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.568 HG21 ' CZ ' ' A' ' 12' ' ' PHE . 25.1 m -140.35 149.79 43.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.375 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.573 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -96.91 156.45 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.523 ' O ' ' CG1' ' A' ' 97' ' ' VAL . 31.0 p -125.42 173.21 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.477 ' CD1' ' HB ' ' A' ' 67' ' ' THR . 4.1 mp -132.68 135.56 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.431 ' NH2' ' HB ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -132.62 172.03 13.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 35.9 t0 -104.13 127.19 51.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -50.07 -40.04 44.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.405 ' OG ' ' CG ' ' A' ' 27' ' ' ASP . 90.6 p -60.95 -18.41 56.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -119.41 17.11 13.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -38.91 131.07 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.436 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 30.6 p-80 -114.59 -138.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.544 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 1.8 m-30 -62.2 -168.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.42 -164.74 1.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.3 m -74.25 148.86 41.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.432 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.31 -15.98 57.08 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.1 -169.71 2.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.415 ' CG1' ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -109.25 145.1 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.3 mt -126.77 109.29 11.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.539 ' HG2' ' CD1' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -69.94 114.41 8.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.4 p -86.75 147.03 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 48' ' ' GLY . . . -156.26 -134.44 1.81 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -157.18 145.2 19.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 0.815 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.542 ' CD2' ' O ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -76.34 -34.8 58.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.3 -49.28 34.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER 168.71 -35.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -38.52 -31.99 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.489 ' O ' ' CA ' ' A' ' 42' ' ' GLY . . . 43.86 -155.86 0.22 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.539 ' CD1' ' HG2' ' A' ' 40' ' ' ARG . 7.2 t80 -40.75 118.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.81 -38.57 2.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.5 m -149.72 -178.64 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 108.295 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.415 ' CG2' ' CG1' ' A' ' 38' ' ' VAL . 25.2 m -129.79 149.13 51.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.554 ' CD1' ' HB2' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -144.0 169.8 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.419 ' O ' ' CD1' ' A' ' 53' ' ' ILE . 3.6 tt0 -112.13 137.23 50.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.95 159.98 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -123.99 -40.4 2.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.82 169.37 18.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.498 ' CG2' HD12 ' A' ' 98' ' ' ILE . 1.6 m -146.14 150.7 36.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.415 ' N ' HG23 ' A' ' 58' ' ' THR . 0.0 OUTLIER -156.14 168.35 27.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.962 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.504 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -113.54 106.37 14.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.54 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -158.52 173.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.281 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.51 ' OG1' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -68.87 -153.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.6 OUTLIER -102.5 -67.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.451 ' OD1' ' CG ' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -64.68 -7.17 9.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.381 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.51 ' CG2' ' OG1' ' A' ' 62' ' ' THR . 0.7 OUTLIER -73.46 -6.83 48.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 pp -167.76 -46.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.522 ' CG2' ' CB ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -43.38 150.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.4 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.69 -24.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.522 ' CB ' ' CG2' ' A' ' 67' ' ' THR . 0.1 OUTLIER -46.6 -30.65 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 5.4 t60 -63.11 -52.15 63.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.639 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.57 -43.48 84.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 76' ' ' MET . 6.6 tt0 -63.74 -43.42 96.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.489 ' CA ' HD12 ' A' ' 81' ' ' LEU . 1.2 tt0 -53.77 -37.08 63.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.33 27.19 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -144.07 -60.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.546 ' N ' ' O ' ' A' ' 72' ' ' GLU . 14.0 mmt -90.66 177.32 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 4.2 t -92.19 176.94 6.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.403 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.408 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.2 OUTLIER -61.64 -35.89 79.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -56.56 -49.83 73.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.51 -49.64 68.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.489 ' CD1' ' HG3' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -53.41 -38.14 63.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -70.48 -37.68 74.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -52.79 63.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.447 HG21 ' CE ' ' A' ' 69' ' ' LYS . 17.2 m -64.8 -37.32 79.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' A' ' 81' ' ' LEU . 1.2 mm -58.49 -36.84 61.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.7 -33.38 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.628 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -71.29 -31.98 68.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.648 HG21 ' CG ' ' A' ' 89' ' ' TYR . 0.5 OUTLIER -83.47 -57.38 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.648 ' CG ' HG21 ' A' ' 88' ' ' ILE . 8.3 p90 163.43 145.73 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 142.25 27.87 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 117.94 117.59 2.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.48 68.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.0 p -142.14 152.54 43.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.415 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -41.87 143.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.54 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -161.96 -177.62 5.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.62 142.49 46.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.523 ' CG1' ' O ' ' A' ' 24' ' ' THR . 66.9 t -130.96 128.36 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.498 HD12 ' CG2' ' A' ' 58' ' ' THR . 1.9 mm -121.25 128.42 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 23' ' ' ILE . 9.3 tt0 -95.28 139.14 32.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.554 ' HB2' ' CD1' ' A' ' 53' ' ' ILE . 24.4 p90 -138.13 152.63 48.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.451 ' N ' HD11 ' A' ' 53' ' ' ILE . 3.0 pttp -159.24 155.7 27.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.6 t -91.03 128.04 36.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.7 mtt . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.483 0.182 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.41 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 1.2 tt0 177.72 63.69 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 2' ' ' GLN . 18.3 Cg_endo -74.9 173.33 14.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -72.42 174.88 6.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.82 -37.5 3.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.563 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 10.9 tt -162.78 139.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.4 p -106.97 168.26 9.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.405 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.563 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 65.2 m-85 -154.46 116.17 4.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.609 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 7.6 t80 -42.74 161.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -51.8 -54.05 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.549 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -49.86 -50.42 45.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -29.9 70.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -66.36 -48.19 70.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.407 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 12.0 t70 -62.2 -45.9 91.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -54.61 -43.33 72.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.0 mt -68.59 -41.46 82.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -59.91 -24.96 64.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.91 -3.91 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.99 76.01 0.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 21' ' ' LYS . 34.9 mtt180 -141.76 94.29 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 0.783 . . . . 0.0 110.328 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -38.68 101.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -119.18 159.32 24.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.492 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -96.79 153.66 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.518 ' O ' ' CG1' ' A' ' 97' ' ' VAL . 10.9 p -119.58 173.64 6.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.38 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.45 ' O ' ' NE ' ' A' ' 26' ' ' ARG . 4.7 mp -132.28 138.78 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -139.66 172.23 13.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 31' ' ' SER . 12.9 t0 -99.78 130.1 45.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.416 ' CA ' ' OE2' ' A' ' 28' ' ' GLU . 2.7 tp10 -48.47 -44.6 35.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.4 ' OG ' ' OD2' ' A' ' 27' ' ' ASP . 8.2 p -56.08 -20.54 17.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.992 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -130.2 20.3 5.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -107.08 102.48 11.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -156.18 114.79 3.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -179.53 -160.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -149.49 157.98 43.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.7 m -75.59 157.11 34.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.73 -14.11 44.03 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.582 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 1.3 m-20 -75.86 -173.94 2.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.472 ' CG1' HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -104.56 147.55 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' ' 53' ' ' ILE . 12.0 mt -126.28 116.06 20.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 115.91 9.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.5 m -105.6 132.8 51.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.455 ' O ' ' NE2' ' A' ' 13' ' ' GLN . . . -132.66 -158.48 8.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.445 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -137.64 144.17 41.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 110.252 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 87' ' ' ASP . 9.0 t80 -75.43 -30.79 60.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -48.7 -49.23 38.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -179.74 -61.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.3 18.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -37.9 141.1 0.39 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.577 ' CZ ' ' SG ' ' A' ' 51' ' ' CYS . 50.7 t80 39.73 -91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.527 ' N ' ' O ' ' A' ' 48' ' ' GLY . 0.3 OUTLIER 68.78 109.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.577 ' SG ' ' CZ ' ' A' ' 49' ' ' TYR . 86.7 m -152.28 -169.39 3.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 108.278 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.472 HG22 ' CG1' ' A' ' 38' ' ' VAL . 1.3 m -119.03 141.73 48.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.389 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 100' ' ' PHE . 0.9 OUTLIER -132.75 171.96 17.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.425 ' N ' ' CD1' ' A' ' 53' ' ' ILE . 1.3 tt0 -118.3 145.94 44.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.2 158.03 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.5 t -129.52 -41.65 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -159.81 169.51 23.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.463 ' OG1' ' CG2' ' A' ' 98' ' ' ILE . 2.0 m -144.15 151.03 38.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.431 ' N ' HG23 ' A' ' 58' ' ' THR . 0.0 OUTLIER -156.14 169.98 23.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.95 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.491 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -115.99 107.77 15.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.442 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.508 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.13 170.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.491 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 1.4 m -70.29 -154.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.597 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -99.36 -73.44 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -54.35 -12.34 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.491 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.3 p -68.98 -5.79 23.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.38 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -173.73 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.597 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.3 t -42.11 157.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.438 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -22.46 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.493 ' HB3' ' CG2' ' A' ' 67' ' ' THR . 46.7 tttm -45.62 -44.62 13.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -63.28 -46.46 86.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.612 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.09 -48.62 70.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.577 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -66.01 -43.48 87.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -34.38 9.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.13 28.12 4.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.323 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.6 m120 -152.98 -62.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.577 ' N ' ' O ' ' A' ' 72' ' ' GLU . 15.4 mmt -90.49 178.58 6.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 8.5 t -88.62 -176.24 5.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.413 ' N ' ' OG1' ' A' ' 77' ' ' THR . 6.9 mp -71.09 -38.46 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -55.94 -54.35 45.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.54 -45.17 73.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.564 ' CD2' ' HB3' ' A' ' 72' ' ' GLU . 7.9 mt -59.59 -33.37 71.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -33.53 70.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.15 -52.82 30.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.4 m -63.88 -43.22 97.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.479 ' CD1' ' HD2' ' A' ' 69' ' ' LYS . 2.1 mm -57.77 -40.26 74.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.58 -25.16 59.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.609 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -81.11 -27.3 35.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.626 HG22 ' CG ' ' A' ' 89' ' ' TYR . 1.2 tt -89.08 -57.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.626 ' CG ' HG22 ' A' ' 88' ' ' ILE . 7.9 p90 166.88 147.88 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -172.46 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.25 117.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.44 ' HA ' ' CD2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -115.41 55.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.325 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 94' ' ' GLN . 10.0 p -128.01 152.92 47.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.414 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 93' ' ' THR . 34.6 mt-30 -36.11 147.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.508 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -160.62 -179.23 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.09 131.31 35.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.518 ' CG1' ' O ' ' A' ' 24' ' ' THR . 73.2 t -116.98 129.85 72.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.463 ' CG2' ' OG1' ' A' ' 58' ' ' THR . 2.8 mm -121.09 126.88 75.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.492 ' HA ' ' HA ' ' A' ' 23' ' ' ILE . 12.5 tt0 -97.27 147.39 24.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.479 ' HB2' ' CD1' ' A' ' 53' ' ' ILE . 4.4 p90 -148.65 166.07 29.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -141.36 149.65 41.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.11 -173.74 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 108.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.4 mtt . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.521 0.201 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.524 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -88.09 -57.93 0.28 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 2' ' ' GLN . 18.4 Cg_endo -74.98 177.53 8.46 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -79.78 175.25 10.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.77 -46.78 6.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.578 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 2.8 tt -156.83 139.13 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.615 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 2.0 p -103.09 169.86 8.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.615 ' CD1' ' C ' ' A' ' 7' ' ' THR . 15.5 m-85 -151.74 130.84 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.62 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 9.6 t80 -46.07 164.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -54.06 -63.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.575 1.172 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.527 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -49.22 -37.38 22.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.57 ' CE1' ' CG2' ' A' ' 22' ' ' THR . 0.8 OUTLIER -62.93 -42.23 99.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -63.87 -45.18 90.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.18 -46.32 82.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.36 -45.75 87.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.0 mt -58.71 -43.01 86.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.16 -25.35 61.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.98 8.29 18.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.7 65.59 3.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -127.54 96.73 4.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.304 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.472 ' CG ' ' HB2' ' A' ' 101' ' ' LYS . 0.7 OUTLIER -37.73 109.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.57 ' CG2' ' CE1' ' A' ' 12' ' ' PHE . 89.9 m -115.65 141.85 47.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.565 HG23 ' CG1' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -95.15 163.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.461 ' O ' ' CG1' ' A' ' 97' ' ' VAL . 52.2 p -136.13 168.74 18.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.451 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.727 ' CG2' ' CD1' ' A' ' 95' ' ' PHE . 4.6 mp -129.08 138.02 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.506 ' NH2' ' NE2' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -133.03 171.84 13.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -103.62 127.77 51.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -52.45 -40.06 61.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -61.62 -14.06 27.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 31' ' ' SER . 8.6 mt-10 -121.76 14.24 10.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -36.22 119.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.506 ' NE2' ' NH2' ' A' ' 26' ' ' ARG . 5.8 p80 -112.02 -131.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.62 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.517 ' CE1' ' OD1' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -51.81 -170.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -145.19 -165.08 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.6 m -77.39 148.01 35.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.89 -14.26 53.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.441 1.088 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.517 ' OD1' ' CE1' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -85.5 -168.66 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -107.14 148.22 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.427 ' N ' HG12 ' A' ' 38' ' ' VAL . 20.8 mt -131.34 108.36 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.81 120.22 19.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.244 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.496 HG23 ' CE1' ' A' ' 8' ' ' PHE . 40.3 t -97.43 137.8 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 48' ' ' GLY . . . -137.03 -134.12 3.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.477 ' HB3' ' CB ' ' A' ' 47' ' ' ASP . 2.5 ttt-85 -159.17 131.53 6.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -31.03 67.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -47.76 -48.31 30.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.253 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.405 ' CG ' ' C ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER 163.69 -31.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 43' ' ' ARG . 0.4 OUTLIER -42.26 -48.84 5.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 49' ' ' TYR . . . 68.34 -151.73 51.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' GLY . 3.4 t80 -36.28 120.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.41 ' C ' ' SG ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -121.23 -57.04 1.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.41 ' SG ' ' C ' ' A' ' 50' ' ' PHE . 5.4 m -148.86 177.48 9.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 108.354 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 m -122.22 149.92 43.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.589 ' CD1' ' HB2' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -144.41 171.18 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' O ' ' CD1' ' A' ' 53' ' ' ILE . 0.7 OUTLIER -113.79 139.46 49.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.432 HG12 ' CG2' ' A' ' 98' ' ' ILE . 0.6 OUTLIER -60.15 157.07 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.6 t -121.22 -40.27 2.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.413 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.12 169.14 25.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.523 ' CG2' HD12 ' A' ' 98' ' ' ILE . 1.6 m -157.22 139.47 14.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.361 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.83 165.81 33.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.501 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 1.0 OUTLIER -99.25 116.02 30.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 110.388 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.501 ' CG2' ' C ' ' A' ' 60' ' ' THR . 0.0 OUTLIER -158.3 175.62 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.474 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 1.1 m -71.94 -153.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' A' ' 67' ' ' THR . 1.2 pp -100.64 -69.88 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -59.96 -8.16 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.474 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.2 p -72.79 -7.46 50.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.508 HD11 ' CG1' ' A' ' 97' ' ' VAL . 3.8 pp -170.87 -41.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.571 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.2 t -41.87 153.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.0 -23.59 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.488 ' HD2' ' CD1' ' A' ' 63' ' ' LEU . 56.2 tttt -49.78 -30.28 9.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -71.31 -55.47 7.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.63 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.84 -36.39 69.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 76' ' ' MET . 2.7 tt0 -72.93 -44.48 61.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.467 ' HG2' ' CD1' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -49.77 -35.48 22.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.69 28.5 4.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -147.72 -62.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 72' ' ' GLU . 38.0 mmt -90.61 178.45 6.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 7.6 t -86.84 -174.59 5.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.432 ' N ' ' OG1' ' A' ' 77' ' ' THR . 1.5 mp -71.4 -38.43 71.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 m -56.36 -57.33 12.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.1 -42.64 69.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.478 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -56.44 -41.06 75.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -68.11 -33.8 75.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -63.51 -53.78 46.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.247 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.425 HG21 ' N ' ' A' ' 85' ' ' ILE . 5.8 m -64.75 -41.49 92.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.451 ' CD1' HD13 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -60.14 -36.4 67.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.37 -24.67 50.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.62 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -82.51 -28.04 31.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.633 HG23 ' CD2' ' A' ' 89' ' ' TYR . 1.1 tt -85.53 -57.81 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.633 ' CD2' HG23 ' A' ' 88' ' ' ILE . 14.3 p90 166.5 139.09 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.2 Cg_endo -75.07 175.66 10.95 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.47 124.42 2.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.47 70.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.658 ' O ' ' CE2' ' A' ' 95' ' ' PHE . 13.7 p -131.43 152.84 50.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.39 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.42 ' CG ' ' OG1' ' A' ' 62' ' ' THR . 5.2 mt-30 -69.0 146.92 52.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.727 ' CD1' ' CG2' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -163.0 -177.93 5.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -65.0 151.46 45.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.565 ' CG1' HG23 ' A' ' 23' ' ' ILE . 65.7 t -138.14 127.05 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.523 HD12 ' CG2' ' A' ' 58' ' ' THR . 1.3 mm -116.68 125.57 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.556 ' HA ' ' HA ' ' A' ' 23' ' ' ILE . 0.6 OUTLIER -96.47 136.7 36.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.589 ' HB2' ' CD1' ' A' ' 53' ' ' ILE . 33.2 p90 -129.9 152.08 49.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.472 ' HB2' ' CG ' ' A' ' 21' ' ' LYS . 1.3 pttp -157.08 154.27 29.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.363 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.8 t -90.89 125.52 35.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 108.304 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.1 mtt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.536 0.208 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -169.24 114.23 0.52 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.63 12.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -59.74 172.7 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.75 -40.38 10.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.585 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 6.4 tt -164.05 149.68 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.618 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.1 p -114.56 161.1 18.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 7' ' ' THR . 1.9 m-85 -151.53 130.7 12.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.848 ' CZ ' ' CD2' ' A' ' 12' ' ' PHE . 3.6 p90 -50.47 178.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -64.45 -44.65 90.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.585 ' HB2' ' CD1' ' A' ' 9' ' ' PHE . 0.9 OUTLIER -50.87 -29.25 11.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.848 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -78.59 -35.29 45.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.19 -54.34 11.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -51.27 -52.05 48.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.6 mt -54.77 -45.19 73.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -25.88 61.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.54 15.18 8.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 62.77 -126.1 36.42 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 44.09 94.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 0.728 . . . . 0.0 110.276 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -38.14 147.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.3 m -138.98 146.71 41.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.383 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.42 HG21 ' HB2' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -95.4 162.23 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.57 HG21 ' CE2' ' A' ' 100' ' ' PHE . 67.0 p -145.14 171.08 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.471 ' CD1' ' HB ' ' A' ' 67' ' ' THR . 4.1 mp -124.75 140.89 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -136.3 172.36 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 110.268 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -105.74 130.08 53.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.251 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -51.16 -39.43 56.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 p -64.72 -20.89 66.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 31' ' ' SER . 32.8 mt-10 -116.24 16.96 15.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.84 110.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.592 ' CE1' ' CD2' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -78.7 -136.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.619 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -70.94 -171.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.73 -171.37 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.4 m -75.28 147.61 40.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.5 -14.06 48.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.69 -170.08 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -108.03 147.45 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.592 ' CD2' ' CE1' ' A' ' 32' ' ' HIS . 24.5 mt -127.33 105.86 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.53 140.24 56.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.573 HG11 ' CE1' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -136.16 173.66 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' HA2' ' CB ' ' A' ' 50' ' ' PHE . . . -177.54 -114.75 0.41 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -139.35 127.92 23.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.488 ' CE1' ' O ' ' A' ' 87' ' ' ASP . 2.0 t80 -73.75 -25.02 59.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.03 -47.4 22.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 170.73 -33.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.78 -63.77 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' TYR . . . 58.2 155.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.408 ' O ' ' O ' ' A' ' 48' ' ' GLY . 10.3 t80 43.91 96.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.4 ' CB ' ' HA2' ' A' ' 42' ' ' GLY . 0.8 OUTLIER -136.17 -43.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.1 m -142.24 177.85 7.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.28 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.2 m -131.24 154.25 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.59 HD11 ' CD1' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -142.6 171.89 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -117.94 154.1 32.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.233 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.86 159.1 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.402 HG23 ' C ' ' A' ' 99' ' ' GLU . 14.7 t -133.22 -44.04 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.35 168.35 24.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.512 ' CG2' HD12 ' A' ' 98' ' ' ILE . 1.4 m -156.39 142.94 18.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.408 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.82 166.31 33.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.488 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -104.13 111.39 23.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.367 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.512 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -157.14 171.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.49 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 1.4 m -69.58 -153.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -99.46 -72.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.236 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.401 ' HD2' ' NZ ' ' A' ' 69' ' ' LYS . 1.9 t0 -56.82 -9.59 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.49 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.3 p -72.13 -4.76 30.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.409 ' CD1' HG11 ' A' ' 97' ' ' VAL . 3.3 pp -173.94 -39.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.589 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.2 t -43.4 155.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -23.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.486 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 29.1 tttt -46.97 -31.33 3.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -75.4 -51.78 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.565 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.74 -53.27 58.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.6 OUTLIER -63.46 -42.43 98.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.525 ' CA ' HD11 ' A' ' 81' ' ' LEU . 8.3 tt0 -47.97 -35.95 11.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.09 30.26 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 72' ' ' GLU . 17.0 t-20 -151.58 -62.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.549 ' N ' ' O ' ' A' ' 72' ' ' GLU . 39.0 mmt -89.71 -179.82 5.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 t -89.51 -178.63 5.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.437 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.25 -35.15 71.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.92 -52.68 64.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.82 -47.33 82.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.532 ' CD2' ' HB3' ' A' ' 72' ' ' GLU . 9.7 mt -60.17 -31.88 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -71.02 -33.66 70.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -53.29 39.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.456 ' CG1' ' HD2' ' A' ' 11' ' ' ARG . 4.4 m -62.84 -42.32 95.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.453 ' CD1' HD11 ' A' ' 63' ' ' LEU . 1.0 OUTLIER -60.82 -36.92 74.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.76 -21.65 51.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.488 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -85.44 -27.74 25.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.619 HG21 ' CD2' ' A' ' 89' ' ' TYR . 1.9 tt -84.55 -57.75 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.619 ' CD2' HG21 ' A' ' 88' ' ' ILE . 11.8 p90 168.42 141.3 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 152.83 41.38 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.03 122.16 3.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.461 ' C ' ' CG2' ' A' ' 93' ' ' THR . 5.0 tm0? -111.73 98.33 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.461 ' CG2' ' C ' ' A' ' 92' ' ' GLN . 17.0 p -151.84 151.87 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -41.07 141.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.512 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -161.73 -178.52 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.24 140.77 40.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 24' ' ' THR . 79.7 t -125.56 132.29 71.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.512 HD12 ' CG2' ' A' ' 58' ' ' THR . 4.3 mm -125.52 121.71 60.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.509 ' HE2' ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -97.65 145.84 25.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.337 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.59 ' CD1' HD11 ' A' ' 53' ' ' ILE . 2.0 p90 -148.47 165.23 31.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -135.81 155.88 49.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.8 t -91.24 124.41 35.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 108.253 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.521 0.201 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.69 138.97 89.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.15 16.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.37 155.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.462 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 1.3 m-20 -90.06 -45.53 9.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.568 HG12 ' CE1' ' A' ' 8' ' ' PHE . 2.8 tt -154.4 141.67 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.53 156.51 17.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.568 ' CE1' HG12 ' A' ' 6' ' ' ILE . 83.3 m-85 -144.27 113.85 7.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.606 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 8.1 t80 -39.28 160.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -49.33 -54.72 15.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 35.4 mtp85 -51.28 -41.53 60.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 68' ' ' GLU . 11.2 m-85 -71.73 -32.06 67.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -46.03 75.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -65.06 -50.99 64.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.14 -48.18 61.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.2 mt -62.12 -44.16 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -28.62 66.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.77 11.9 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 80.63 -126.01 7.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER 42.77 93.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' CD ' ' OE2' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -43.0 158.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.5 m -152.01 152.58 32.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.482 HG22 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -102.11 148.07 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.574 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 15.1 p -115.1 174.59 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.756 ' H ' ' NH2' ' A' ' 26' ' ' ARG . 4.6 mp -135.93 122.79 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.756 ' NH2' ' H ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -122.36 171.87 8.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.575 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 10.7 t0 -98.04 128.52 44.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.41 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 8.4 tp10 -54.34 -41.93 69.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -63.04 -12.99 30.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' SER . 4.6 mm-40 -120.06 8.66 11.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.245 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -36.57 107.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.416 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -108.11 -132.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.568 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 5' ' ' ASP . 39.6 m-85 -41.54 164.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 11.3 mttt -131.85 -167.83 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m -68.22 141.11 56.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.68 -13.81 66.5 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -88.4 -171.25 3.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 0.793 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.447 HG11 ' CG2' ' A' ' 52' ' ' THR . 1.0 OUTLIER -106.54 149.72 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.474 ' HG ' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -123.38 103.68 8.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -71.67 119.92 16.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.527 ' CG1' ' CE1' ' A' ' 8' ' ' PHE . 28.7 m -106.0 135.06 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 48' ' ' GLY . . . -131.94 -131.9 3.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -157.78 127.82 6.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -68.45 -29.26 67.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -48.95 -48.72 42.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 0.3 OUTLIER 162.03 -29.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.73 -43.42 18.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.483 ' O ' ' CA ' ' A' ' 42' ' ' GLY . . . 69.55 -151.45 50.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 48' ' ' GLY . 15.9 t80 -36.51 122.7 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.409 ' C ' ' SG ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -117.5 -56.29 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.409 ' SG ' ' C ' ' A' ' 50' ' ' PHE . 8.5 m -149.26 177.83 9.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 108.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.447 ' CG2' HG11 ' A' ' 38' ' ' VAL . 1.7 m -121.33 143.8 48.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.648 ' CD1' ' CG ' ' A' ' 100' ' ' PHE . 4.8 pt -133.95 173.21 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -118.64 149.75 40.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.38 158.07 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.441 ' CB ' ' HG3' ' A' ' 101' ' ' LYS . 5.8 t -127.09 -42.47 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -156.12 169.82 23.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.509 ' CG2' HD11 ' A' ' 98' ' ' ILE . 1.9 m -147.42 150.89 35.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.61 169.97 23.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.499 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -113.7 103.76 11.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.371 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.499 ' CG2' ' C ' ' A' ' 60' ' ' THR . 0.2 OUTLIER -156.25 172.5 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.408 ' HB ' ' OG1' ' A' ' 65' ' ' THR . 0.2 OUTLIER -71.58 -153.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.622 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.6 OUTLIER -101.14 -69.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -57.53 -9.76 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.443 ' H ' ' C ' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -75.29 -1.38 23.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.446 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.433 HD11 ' N ' ' A' ' 67' ' ' THR . 2.0 pp -174.27 -41.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.622 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.2 t -42.71 153.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.436 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 3.4 mt-10 -48.66 -23.57 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.509 ' HB3' ' CG2' ' A' ' 67' ' ' THR . 18.8 tttm -49.14 -29.97 6.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -70.23 -54.76 11.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.563 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.19 74.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 76' ' ' MET . 2.8 tt0 -71.11 -43.72 67.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.469 ' CA ' HD12 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -50.66 -38.41 46.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -96.94 27.55 3.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -145.15 -62.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.514 ' N ' ' O ' ' A' ' 72' ' ' GLU . 14.4 mmt -91.0 177.07 6.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 1.5 t -86.36 176.81 7.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.1 OUTLIER -64.03 -38.93 92.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.39 -57.17 13.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.68 -44.8 70.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.34 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.485 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -55.51 -39.87 71.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -69.61 -32.14 70.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -53.05 46.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.413 ' CG1' ' OE1' ' A' ' 72' ' ' GLU . 4.5 m -66.3 -41.04 88.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.477 ' CD1' ' HD2' ' A' ' 69' ' ' LYS . 1.8 mm -60.82 -38.62 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.99 -23.95 52.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.606 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -82.88 -27.16 30.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.604 HG21 ' CG ' ' A' ' 89' ' ' TYR . 1.9 tt -88.18 -57.37 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.604 ' CG ' HG21 ' A' ' 88' ' ' ILE . 8.6 p90 168.62 146.57 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -169.7 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.25 112.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.468 ' C ' ' CG2' ' A' ' 93' ' ' THR . 0.0 OUTLIER -115.38 81.69 1.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.468 ' CG2' ' C ' ' A' ' 92' ' ' GLN . 18.6 p -152.06 152.75 32.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.438 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' THR . 4.8 mt-30 -34.93 144.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.575 ' CD1' ' HA ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -161.5 -178.69 6.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.48 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -85.67 121.75 28.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.574 ' HA ' ' O ' ' A' ' 24' ' ' THR . 73.0 t -101.42 137.27 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.509 HD11 ' CG2' ' A' ' 58' ' ' THR . 4.5 mm -128.35 121.73 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.482 ' CG ' HG22 ' A' ' 23' ' ' ILE . 15.2 tt0 -95.47 154.82 17.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.648 ' CG ' ' CD1' ' A' ' 53' ' ' ILE . 4.8 p90 -145.85 160.87 41.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.441 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 20.0 mttt -129.11 147.59 50.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.6 t -92.15 124.44 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 108.295 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.295 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.6 mtt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.49 0.186 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.498 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 1.8 tp60 -173.28 59.8 0.24 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.498 ' HD3' ' N ' ' A' ' 2' ' ' GLN . 18.3 Cg_endo -74.92 173.65 14.11 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -62.26 179.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.445 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 1.0 OUTLIER -73.77 -50.07 22.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.576 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 13.4 tt -164.03 143.4 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.613 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.7 p -112.36 169.77 8.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.385 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.613 ' CD1' ' C ' ' A' ' 7' ' ' THR . 5.3 m-85 -157.62 149.3 21.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.625 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 10.7 t80 -76.54 160.21 29.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.427 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.8 OUTLIER -48.41 -47.55 37.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.586 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 27.5 mtp85 -61.86 -45.44 93.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.21 -36.22 79.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' CD ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.29 -46.77 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.11 -45.21 83.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -60.07 -43.66 95.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.4 -42.97 95.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -24.92 61.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.81 -1.21 27.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.92 69.81 1.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -137.3 94.84 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -37.45 102.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 m -110.36 155.48 22.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.451 HG22 ' CG ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -95.51 162.62 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.549 ' O ' ' CG1' ' A' ' 97' ' ' VAL . 21.7 p -141.1 170.78 15.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.468 ' CD1' ' HB ' ' A' ' 67' ' ' THR . 4.1 mp -128.24 136.87 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -132.25 171.93 13.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 31' ' ' SER . 23.6 t0 -95.8 127.93 42.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -49.41 -39.84 34.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.404 ' OG ' ' OD2' ' A' ' 27' ' ' ASP . 19.5 p -61.5 -16.86 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ASP . 4.8 mt-10 -132.84 17.94 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.602 ' OG ' ' CD2' ' A' ' 96' ' ' TYR . 0.3 OUTLIER -106.8 89.87 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -147.27 113.94 6.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.588 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.18 -158.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -145.54 157.58 43.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.6 m -76.8 160.61 29.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.01 -14.53 43.16 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.9 -173.64 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.505 ' CG1' ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -105.86 148.71 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.436 HD23 ' CG2' ' A' ' 6' ' ' ILE . 13.5 mt -127.26 106.36 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.4 129.6 41.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.597 ' CG1' ' CE1' ' A' ' 8' ' ' PHE . 1.8 m -132.17 -178.14 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' ' CD ' ' A' ' 13' ' ' GLN . . . 169.26 -80.32 0.1 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -176.7 134.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.602 ' CE2' ' O ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -71.86 -26.32 62.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.402 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 2.2 tt0 -46.69 -48.05 20.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER 166.86 -30.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' ASP . 3.0 t0 -39.23 -31.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 46' ' ' ASP . . . 46.59 -151.06 1.63 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.571 1.169 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' GLY . 18.9 t80 -35.51 117.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -145.47 -52.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.7 m -126.62 -178.41 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.283 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.505 ' CG2' ' CG1' ' A' ' 38' ' ' VAL . 20.6 m -140.98 146.32 37.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.486 ' CD1' ' N ' ' A' ' 54' ' ' GLU . 0.7 OUTLIER -133.01 171.7 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.486 ' N ' ' CD1' ' A' ' 53' ' ' ILE . 3.6 mt-10 -119.74 139.12 52.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.53 163.39 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.493 ' CG2' ' OE1' ' A' ' 99' ' ' GLU . 6.6 t -139.23 -44.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.389 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.408 ' N ' HG22 ' A' ' 56' ' ' THR . . . -148.21 169.57 19.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.526 ' CG2' HD13 ' A' ' 98' ' ' ILE . 1.7 m -153.83 146.37 24.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.399 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.94 168.84 26.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.5 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -113.02 105.56 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.385 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.539 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -155.67 173.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.477 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 1.0 OUTLIER -70.68 -157.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.659 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -99.77 -71.3 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -55.14 -8.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.511 ' H ' ' C ' ' A' ' 63' ' ' LEU . 4.1 p -79.81 -1.19 37.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.455 ' CD1' HG13 ' A' ' 97' ' ' VAL . 3.7 pp -177.17 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.659 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.1 t -41.4 152.04 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.416 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.85 -23.45 7.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.564 ' HB3' ' CG2' ' A' ' 67' ' ' THR . 18.4 tttt -49.22 -36.84 21.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -66.44 -50.26 63.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.612 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.59 -45.86 73.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -66.19 -43.3 87.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.526 ' CA ' HD12 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -48.89 -36.54 17.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.639 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 6.9 tt0 -90.36 20.72 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' GLU . 17.1 t-20 -143.72 -61.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.56 ' N ' ' O ' ' A' ' 72' ' ' GLU . 35.6 mmt -89.86 178.28 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 1.4 t -87.0 178.88 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.37 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.494 ' N ' ' OG1' ' A' ' 77' ' ' THR . 2.3 mp -69.08 -37.75 78.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.0 m -56.51 -57.37 12.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.87 -44.99 70.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.526 HD12 ' CA ' ' A' ' 73' ' ' GLN . 7.8 mt -59.5 -32.84 70.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.12 -33.6 67.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -67.94 -52.76 32.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.5 m -64.53 -44.23 96.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 81' ' ' LEU . 2.2 mm -57.1 -41.35 77.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.88 -26.67 62.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.625 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -79.91 -27.78 39.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.676 HG21 ' CG ' ' A' ' 89' ' ' TYR . 0.2 OUTLIER -87.63 -57.53 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.676 ' CG ' HG21 ' A' ' 88' ' ' ILE . 7.5 p90 163.97 144.9 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.88 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.99 112.13 0.22 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -115.43 64.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' GLN . 23.0 p -147.93 152.39 37.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.43 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 93' ' ' THR . 15.8 mt-30 -37.69 140.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.539 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.6 m-85 -160.69 -177.62 6.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.602 ' CD2' ' OG ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -75.73 144.52 41.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.549 ' CG1' ' O ' ' A' ' 24' ' ' THR . 54.3 t -132.04 137.69 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.526 HD13 ' CG2' ' A' ' 58' ' ' THR . 5.4 mm -129.55 119.14 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.493 ' OE1' ' CG2' ' A' ' 56' ' ' THR . 2.6 tm-20 -96.14 143.47 27.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.483 ' CB ' HD11 ' A' ' 53' ' ' ILE . 26.8 p90 -148.07 172.29 14.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 21' ' ' LYS . 11.1 pttt -145.47 152.95 40.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -91.65 -174.4 3.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.327 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.251 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 mtt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.452 0.168 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -127.18 128.99 24.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.263 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.91 6.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 17.0 t-20 -55.5 170.79 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 4' ' ' ASN . 2.4 m-20 -87.13 -41.5 13.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.576 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 5.8 tt -163.43 141.73 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.531 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 2.0 p -101.65 168.97 9.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.4 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.627 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 24.6 m-85 -158.6 131.99 7.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.092 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.83 ' CZ ' ' CD2' ' A' ' 12' ' ' PHE . 4.6 p90 -50.92 -175.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -69.94 -47.07 63.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.557 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 7.1 mtp180 -50.29 -24.99 3.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.83 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -80.22 -34.99 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -42.67 87.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -52.35 18.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.03 -47.71 74.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 12' ' ' PHE . 58.4 mt -57.55 -44.99 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.46 -24.67 60.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.38 -0.68 26.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 53.81 52.41 42.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' LYS . 93.0 mtt180 -115.0 99.16 7.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 0.76 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' ARG . 1.1 pttm -37.63 100.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ARG . 42.5 m -111.4 150.52 29.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.49 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -94.96 161.64 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.519 ' O ' ' CG1' ' A' ' 97' ' ' VAL . 31.4 p -131.07 171.89 12.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.434 ' C ' ' HD2' ' A' ' 26' ' ' ARG . 4.5 mp -130.45 130.99 65.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.531 ' CZ ' ' CD1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -126.96 172.17 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -108.07 128.29 54.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -50.19 -43.4 52.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -14.15 41.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.5 mm-40 -119.28 13.18 12.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.422 ' O ' ' OG ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -38.43 98.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 0.0 110.009 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.468 ' CE1' ' HE ' ' A' ' 26' ' ' ARG . 0.6 OUTLIER -88.14 -134.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.425 ' N ' ' CG ' ' A' ' 32' ' ' HIS . 9.7 m-85 -51.52 -173.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -137.52 -170.76 2.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.1 m -72.35 162.35 29.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.28 18.03 64.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.79 -169.0 1.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.405 ' CG1' HG22 ' A' ' 52' ' ' THR . 1.2 t -106.39 147.86 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.456 ' CD2' ' CE1' ' A' ' 32' ' ' HIS . 26.0 mt -130.09 103.9 7.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.65 138.18 58.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.476 ' CG1' HG12 ' A' ' 53' ' ' ILE . 1.4 m -131.51 168.85 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.01 -105.39 0.19 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.59 127.44 3.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 87' ' ' ASP . 1.2 t80 -73.11 -24.77 60.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 1.6 mm-40 -50.18 -48.7 53.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.49 ' HD2' ' N ' ' A' ' 46' ' ' ASP . 0.6 OUTLIER 157.34 59.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 48' ' ' GLY . 2.9 t0 -141.02 -62.88 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . 55.23 163.25 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.5 t80 37.85 88.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -134.69 -43.6 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.5 m -142.05 175.15 9.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 108.259 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.405 HG22 ' CG1' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -125.74 143.42 51.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.692 ' CD1' ' CG ' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -129.3 171.78 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -125.17 142.56 51.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.44 ' CG2' HD12 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -75.18 159.81 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.7 t -132.74 -44.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.395 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.73 168.63 21.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.537 ' CG2' HD13 ' A' ' 98' ' ' ILE . 4.1 m -146.46 144.98 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.79 166.58 32.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.499 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -106.69 115.61 30.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.529 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -158.09 175.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.507 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 7.7 m -79.27 -153.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.402 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.6 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.6 OUTLIER -98.99 -70.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -57.19 -9.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.507 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.3 p -74.18 -2.87 26.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 110.393 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -173.35 -41.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.6 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.2 t -43.05 153.3 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.3 -23.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.515 ' HG2' ' CD1' ' A' ' 81' ' ' LEU . 19.4 tttm -49.14 -31.06 7.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -68.11 -54.64 16.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.589 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.42 -37.68 73.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.7 OUTLIER -70.21 -44.76 67.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.508 ' CA ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -51.09 -36.15 38.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.86 28.24 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -147.59 -61.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.515 ' N ' ' O ' ' A' ' 72' ' ' GLU . 12.7 mmt -90.28 177.64 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 7.8 t -89.86 -171.22 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' ' 77' ' ' THR . 2.6 mp -70.83 -37.83 73.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -56.3 -55.4 33.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.374 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.23 -44.53 92.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.515 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -56.52 -34.77 67.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -73.47 -37.62 65.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -54.58 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 88' ' ' ILE . 27.4 m -57.31 -49.89 78.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.489 ' CD1' ' HD2' ' A' ' 69' ' ' LYS . 6.2 mm -49.85 -42.01 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.84 -24.16 62.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.601 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -81.07 -29.6 34.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.625 HD12 ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -87.86 -62.76 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.473 ' CE2' HG21 ' A' ' 88' ' ' ILE . 3.1 p90 169.75 145.86 0.1 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.64 36.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.776 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.39 123.5 4.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 111.035 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -115.69 54.16 0.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.8 p -122.62 151.69 41.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -45.24 149.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.6 m-85 -162.1 -177.6 5.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.05 140.16 39.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 111.044 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 24' ' ' THR . 71.4 t -126.47 132.59 70.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.537 HD13 ' CG2' ' A' ' 58' ' ' THR . 4.4 mm -124.4 127.33 73.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.49 ' HA ' ' HA ' ' A' ' 23' ' ' ILE . 7.9 tt0 -96.6 150.9 20.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.692 ' CG ' ' CD1' ' A' ' 53' ' ' ILE . 5.2 p90 -148.27 170.66 17.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -152.55 149.08 28.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.4 t -92.3 128.19 38.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 108.294 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.8 mtt . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.549 0.214 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.14 82.65 0.51 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.52 14.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.442 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 3.0 t30 -91.56 159.91 15.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.442 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -93.72 -52.21 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.579 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 3.8 tt -164.38 144.45 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.6 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.4 p -108.38 170.73 7.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.602 ' CE1' HG22 ' A' ' 24' ' ' THR . 44.3 m-85 -154.33 134.6 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.568 ' CD2' ' HG3' ' A' ' 11' ' ' ARG . 6.2 t80 -44.08 164.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -56.3 -44.32 79.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.568 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 34.3 mtp85 -49.37 -48.17 47.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.531 ' CE1' ' HG3' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -62.12 -31.76 72.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -45.87 76.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.132 . . . . 0.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -65.08 -57.54 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.94 -42.98 60.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 12' ' ' PHE . 46.0 mt -63.05 -47.0 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.08 -28.52 66.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.53 18.51 7.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 72.3 -116.08 5.68 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.489 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER 45.22 97.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 0.0 110.286 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.489 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -34.02 106.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.1 m -100.78 120.21 39.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.444 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.511 HG23 ' CG1' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -96.13 158.81 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.602 HG22 ' CE1' ' A' ' 8' ' ' PHE . 68.5 p -138.86 166.92 23.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 62' ' ' THR . 4.1 mp -122.25 140.01 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.439 ' NE ' HG12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -138.99 163.74 31.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' SER . 13.8 t0 -91.42 130.63 37.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -50.12 -43.16 51.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -25.42 48.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -121.68 16.15 11.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.7 t -105.35 105.43 15.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.956 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -158.31 114.73 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.636 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -179.58 -154.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -147.8 157.7 43.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m -80.55 166.26 21.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.91 14.46 63.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.6 -172.75 2.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.421 ' CG1' ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -102.85 141.52 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.446 ' O ' HG13 ' A' ' 53' ' ' ILE . 12.2 mt -122.92 109.37 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 134.0 56.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.429 ' CG2' HG21 ' A' ' 53' ' ' ILE . 20.1 m -138.48 174.4 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.4 -107.17 0.2 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 175.1 127.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.755 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -64.53 -28.62 69.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.84 -47.32 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -88.75 -47.08 8.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 t0 171.25 -40.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.504 ' O ' ' O ' ' A' ' 49' ' ' TYR . . . 142.46 165.34 10.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.504 ' O ' ' O ' ' A' ' 48' ' ' GLY . 4.8 t80 56.55 137.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.975 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 179.85 -37.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.0 m -132.36 175.99 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 108.329 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.421 ' CG2' ' CG1' ' A' ' 38' ' ' VAL . 4.6 m -126.87 147.24 50.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.686 ' CD1' ' CG ' ' A' ' 100' ' ' PHE . 1.0 OUTLIER -132.15 172.77 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -125.78 139.33 53.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.417 ' HA ' ' HB3' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -72.35 161.41 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.8 t -141.37 -45.38 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.441 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -144.63 169.73 17.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.511 ' CG2' HD11 ' A' ' 98' ' ' ILE . 1.3 m -160.07 140.59 11.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -157.14 168.09 28.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.958 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.532 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -103.39 110.79 22.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.532 ' CG2' ' C ' ' A' ' 60' ' ' THR . 0.2 OUTLIER -158.28 174.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.447 ' O ' HG12 ' A' ' 25' ' ' ILE . 3.9 m -72.98 -154.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.432 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.626 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.8 OUTLIER -99.78 -71.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -54.73 -9.59 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.481 ' H ' ' C ' ' A' ' 63' ' ' LEU . 1.2 p -76.69 0.3 20.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.493 HD12 ' CG1' ' A' ' 97' ' ' VAL . 1.4 pp -178.93 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.626 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.1 t -41.47 153.16 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.531 ' HG3' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -52.5 -22.6 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.566 ' HB3' ' CG2' ' A' ' 67' ' ' THR . 28.0 tttt -49.14 -35.13 15.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.464 ' CD2' ' C ' ' A' ' 70' ' ' HIS . 1.6 t60 -68.94 -54.98 12.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.59 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.46 -37.38 65.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' HG2' ' CG ' ' A' ' 76' ' ' MET . 2.2 tt0 -72.66 -43.58 62.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.53 ' CA ' HD13 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -48.88 -36.32 16.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.44 26.91 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -145.49 -60.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.497 ' CG ' ' HG2' ' A' ' 72' ' ' GLU . 19.4 mmm -90.33 178.6 6.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.4 t -88.29 -177.78 5.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.1 mp -71.26 -38.06 71.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 m -60.1 -45.95 91.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.347 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -37.32 81.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.53 HD13 ' CA ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -61.96 -37.34 84.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -73.13 -38.47 66.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -53.42 57.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.471 ' O ' ' CG1' ' A' ' 88' ' ' ILE . 14.3 m -63.09 -49.61 82.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.478 ' CD1' ' HD2' ' A' ' 69' ' ' LYS . 1.3 mm -52.56 -40.65 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.54 -22.57 58.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.452 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -83.98 -27.23 28.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.539 HG22 ' CE2' ' A' ' 89' ' ' TYR . 0.3 OUTLIER -95.24 -60.32 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.539 ' CE2' HG22 ' A' ' 88' ' ' ILE . 1.0 OUTLIER 171.93 162.33 0.25 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -41.54 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.25 109.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -86.87 -142.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.754 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.57 ' O ' ' C ' ' A' ' 94' ' ' GLN . 35.6 p -60.19 157.94 12.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.57 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.5 tt0 -23.17 136.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.494 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.3 m-85 -144.26 -177.76 5.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.02 143.78 52.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.511 ' CG1' HG23 ' A' ' 23' ' ' ILE . 53.1 t -133.85 133.77 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.511 HD11 ' CG2' ' A' ' 58' ' ' THR . 3.2 mm -123.41 118.96 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.503 ' CG ' HG22 ' A' ' 23' ' ' ILE . 16.6 tt0 -95.89 140.39 30.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.351 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.686 ' CG ' ' CD1' ' A' ' 53' ' ' ILE . 2.7 p90 -148.68 170.21 18.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -126.02 163.73 22.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 103' ' ' LEU . 21.6 t -91.94 104.94 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 108.307 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 102' ' ' CYS . 3.2 pp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.3 mtt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.503 0.192 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -167.3 170.38 5.04 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 174.22 13.15 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.508 1.793 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.425 ' ND2' ' HB3' ' A' ' 40' ' ' ARG . 18.0 t-20 -53.65 169.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.427 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 4.9 m-20 -94.37 -47.19 6.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.571 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -165.22 139.2 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.408 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -101.81 164.63 11.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.389 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.571 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 43.5 m-85 -148.67 136.13 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.603 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 4.5 t80 -39.72 154.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -49.77 -51.38 39.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.575 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 5.0 mtp85 -50.08 -47.58 53.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.506 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 10.9 m-85 -62.27 -35.5 79.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -48.24 78.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.59 -46.69 88.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -34.91 71.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.468 HG12 ' CZ ' ' A' ' 100' ' ' PHE . 30.5 mt -66.88 -45.31 87.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.52 -25.4 62.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.88 -3.53 35.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 57.21 37.23 79.35 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 21' ' ' LYS . 14.1 mtt-85 -99.3 100.24 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.421 0.718 . . . . 0.0 110.323 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -37.69 105.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 m -119.8 148.88 42.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.511 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -98.56 154.13 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.58 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 44.7 p -121.32 174.61 6.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.557 ' O ' ' CZ ' ' A' ' 26' ' ' ARG . 4.6 mp -134.44 127.58 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.557 ' CZ ' ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -128.02 171.81 11.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.599 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 26.0 t0 -102.76 129.64 49.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -53.99 -39.87 66.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.332 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.3 t -62.04 -15.99 48.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.049 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' SER . 12.7 mm-40 -119.14 11.17 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.61 120.9 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.423 ' CD2' ' N ' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -113.15 -136.56 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.621 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 5' ' ' ASP . 37.2 m-85 -47.34 175.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -131.21 -169.82 2.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.8 m -69.9 148.65 48.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.83 -14.91 61.92 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.99 -170.89 3.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.1 t -107.86 148.08 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.2 101.8 6.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.425 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -78.09 126.42 30.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.553 HG13 ' CE1' ' A' ' 8' ' ' PHE . 18.1 m -108.78 162.54 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.442 ' HA2' ' CB ' ' A' ' 50' ' ' PHE . . . -161.92 -87.8 0.07 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.56 1.162 . . . . 0.0 110.987 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 179.27 127.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 110.28 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -24.61 65.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -52.37 -49.42 64.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER 166.92 -29.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 48' ' ' GLY . 0.4 OUTLIER -42.87 -66.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . 55.34 163.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.465 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 58.2 t80 37.18 91.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.442 ' CB ' ' HA2' ' A' ' 42' ' ' GLY . 8.2 t80 -137.88 -51.83 0.62 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 11.0 m -129.19 179.4 5.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 108.334 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -136.07 147.25 47.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.528 HD11 ' CG ' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -144.51 172.65 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -124.6 152.55 43.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.98 140.5 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.407 HG21 ' C ' ' A' ' 99' ' ' GLU . 13.8 t -109.52 -46.1 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.415 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.13 168.93 24.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.496 ' CG2' HD12 ' A' ' 98' ' ' ILE . 3.7 m -144.65 147.83 33.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 110.441 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.62 170.06 23.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.47 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -114.05 108.82 17.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.401 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -155.5 174.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.55 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 8.8 m -75.72 -152.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.371 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.602 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -100.65 -73.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -54.9 -11.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.55 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.1 p -70.54 -5.89 32.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.467 ' CD1' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -174.03 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.602 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.2 t -41.68 154.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.75 -23.62 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.496 ' HB3' ' CG2' ' A' ' 67' ' ' THR . 56.7 tttt -49.34 -30.1 7.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -72.0 -55.22 7.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.572 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.74 -38.42 72.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 76' ' ' MET . 1.8 tt0 -72.15 -44.53 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.477 ' HG2' ' CD1' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -49.43 -36.13 21.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.17 27.63 4.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.405 ' CG ' ' SD ' ' A' ' 76' ' ' MET . 50.9 t-20 -146.99 -61.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.544 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.5 mpt? -90.65 -179.88 5.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 7.1 t -91.94 -172.03 3.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.442 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.5 OUTLIER -70.73 -37.78 73.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.3 m -56.79 -57.15 13.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -55.57 -44.21 76.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.489 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -57.12 -40.99 78.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.91 -29.42 67.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -53.39 24.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.443 ' CG1' ' OE2' ' A' ' 72' ' ' GLU . 5.0 m -65.02 -41.01 90.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.488 ' CD1' HD12 ' A' ' 63' ' ' LEU . 1.8 mm -60.1 -37.73 74.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.2 -24.17 51.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.603 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -82.37 -27.68 31.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.605 HG22 ' CD2' ' A' ' 89' ' ' TYR . 1.2 tt -86.47 -57.69 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.605 ' CD2' HG22 ' A' ' 88' ' ' ILE . 11.2 p90 168.12 141.64 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 157.68 42.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.95 122.22 4.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.44 1.088 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.438 ' C ' ' CG2' ' A' ' 93' ' ' THR . 0.6 OUTLIER -115.73 83.46 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.438 ' CG2' ' C ' ' A' ' 92' ' ' GLN . 20.0 p -150.45 152.65 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 93' ' ' THR . 10.0 mt-30 -37.32 148.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.599 ' CD1' ' HA ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -162.12 -178.86 6.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.455 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -87.79 120.39 29.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 24' ' ' THR . 81.5 t -100.5 133.06 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.496 HD12 ' CG2' ' A' ' 58' ' ' THR . 4.2 mm -125.92 124.66 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.236 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 23' ' ' ILE . 10.9 tt0 -95.45 153.04 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.528 ' CG ' HD11 ' A' ' 53' ' ' ILE . 7.3 p90 -147.49 155.96 42.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -138.83 152.31 47.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.9 t -91.62 108.18 19.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.336 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 2' ' ' GLN . 40.7 mtt . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.534 0.207 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.46 ' N ' ' CD ' ' A' ' 2' ' ' GLN . 1.1 pm0 34.95 76.03 0.45 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.68 6.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.461 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 1.1 t30 -96.38 160.41 14.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 2.1 m-20 -94.33 -55.24 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.571 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 18.7 tt -146.09 141.93 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.1 p -108.54 166.49 10.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.379 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 7' ' ' THR . 42.5 m-85 -157.37 124.09 5.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 11' ' ' ARG . 7.0 t80 -38.66 158.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.429 ' OE1' ' N ' ' A' ' 11' ' ' ARG . 1.4 pp0? -51.32 -52.44 45.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.574 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -55.32 -47.79 75.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.23 -36.02 80.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -47.48 80.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -59.16 -46.54 88.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -41.61 77.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.63 -43.7 96.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -25.53 61.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.64 -1.02 25.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.71 66.67 2.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -130.49 96.11 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.278 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -36.02 104.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 20' ' ' ARG . 85.8 m -116.26 153.66 31.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.422 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -95.67 160.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.514 ' O ' ' CG1' ' A' ' 97' ' ' VAL . 29.7 p -142.9 173.98 11.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.538 ' CD1' ' OG1' ' A' ' 67' ' ' THR . 4.5 mp -133.84 141.13 44.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -136.07 171.75 14.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -100.7 126.8 47.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -51.66 -43.28 62.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.98 -13.71 28.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' SER . 20.7 mt-10 -121.42 14.28 11.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.77 100.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.49 ' NE2' ' NH1' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -80.01 -136.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.608 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.456 ' N ' ' CG ' ' A' ' 32' ' ' HIS . 6.6 m-85 -52.91 -170.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -135.01 -170.35 2.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.4 m -73.68 164.55 26.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.52 14.79 43.92 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.84 -172.21 2.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 0.747 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.459 ' CG1' ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -104.22 150.03 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.468 ' CD2' ' NE2' ' A' ' 32' ' ' HIS . 17.6 mt -130.27 113.18 14.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -68.19 117.07 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.404 HG21 ' N ' ' A' ' 42' ' ' GLY . 2.2 p -96.83 139.0 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 48' ' ' GLY . . . -151.76 -173.35 21.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -114.04 130.84 56.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -27.01 63.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -47.63 56.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 170.31 -36.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.46 -53.56 3.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.415 ' O ' ' CA ' ' A' ' 42' ' ' GLY . . . 69.2 -144.72 41.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.477 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 6.4 t80 -36.54 105.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -110.32 -54.05 2.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 m -148.74 -173.94 4.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.304 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.459 ' CG2' ' CG1' ' A' ' 38' ' ' VAL . 23.3 m -125.2 150.85 46.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 110.421 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.544 ' CD1' ' N ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -138.15 171.4 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.544 ' N ' ' CD1' ' A' ' 53' ' ' ILE . 2.2 mt-10 -120.72 143.2 48.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.424 HG13 ' CG2' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -76.09 159.79 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.0 t -135.53 -45.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.12 168.43 19.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.476 ' CG2' HD13 ' A' ' 98' ' ' ILE . 1.9 m -165.18 131.64 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -158.05 169.72 23.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.468 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -89.44 113.59 24.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.61 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -156.43 167.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.489 ' C ' ' OG1' ' A' ' 65' ' ' THR . 0.2 OUTLIER -82.08 -161.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.4 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.4 OUTLIER -92.8 -74.43 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 70' ' ' HIS . 3.0 t0 -49.92 -13.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.507 ' N ' ' C ' ' A' ' 63' ' ' LEU . 16.1 p -77.11 2.55 14.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -174.9 -46.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.559 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.2 m -46.04 148.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.456 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.488 ' N ' HG22 ' A' ' 67' ' ' THR . 7.2 mt-10 -43.86 -22.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.468 ' N ' ' C ' ' A' ' 67' ' ' THR . 2.9 tptm -46.04 -32.62 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 8.7 t60 -65.95 -54.8 21.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.589 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.58 81.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.568 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -60.22 -44.61 95.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.484 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -51.14 -38.43 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -99.36 28.41 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -146.07 -61.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.568 ' N ' ' O ' ' A' ' 72' ' ' GLU . 14.6 mmt -90.42 177.49 6.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 0.9 OUTLIER -90.04 176.92 6.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.348 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.488 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.5 OUTLIER -61.82 -36.88 82.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -56.63 -50.8 70.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.425 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.5 -47.12 87.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.484 HD12 ' CG ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -56.02 -37.08 68.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -69.32 -37.33 77.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -60.12 -53.08 62.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.421 HG22 ' N ' ' A' ' 85' ' ' ILE . 5.1 m -65.12 -39.03 84.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.476 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -60.7 -37.73 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.72 -26.34 54.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.554 ' OD1' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -79.38 -28.32 41.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.612 HG22 ' CG ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -86.94 -57.36 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.612 ' CG ' HG22 ' A' ' 88' ' ' ILE . 7.9 p90 164.85 147.97 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -177.1 3.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.24 120.82 0.72 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 92' ' ' GLN . 3.4 tm0? -102.96 69.25 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.3 p -144.03 148.44 35.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.467 ' HA ' ' CG2' ' A' ' 62' ' ' THR . 13.9 pt20 -65.86 160.4 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 110.287 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.61 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -164.96 -177.88 4.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.13 133.09 55.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 24' ' ' THR . 50.4 t -114.85 138.26 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.476 HD13 ' CG2' ' A' ' 58' ' ' THR . 6.9 mm -126.25 111.89 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.412 ' CG ' HG23 ' A' ' 23' ' ' ILE . 7.4 tt0 -96.08 141.7 29.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.539 ' CB ' HD13 ' A' ' 53' ' ' ILE . 1.5 p90 -146.75 173.22 12.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -146.27 155.38 42.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 10.5 t -91.79 125.07 36.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.343 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 mtm . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.479 0.18 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 68.33 146.66 0.11 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 177.75 8.18 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -51.2 173.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.99 -42.8 10.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.571 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 1.2 tp -164.02 142.64 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.454 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -111.33 165.59 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.422 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.571 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 9.6 m-85 -155.7 130.9 9.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.609 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 6.3 t80 -37.26 157.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -49.86 -51.67 38.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.591 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 4.1 mtt-85 -49.39 -46.11 46.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -31.94 72.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.518 ' OE1' ' CG ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -65.78 -53.15 44.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.09 -45.5 79.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.5 -45.01 81.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.2 mt -61.77 -45.01 99.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.26 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -25.65 63.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.82 11.75 14.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 67.54 -115.92 7.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 42.69 94.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 0.774 . . . . 0.0 110.301 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -38.95 134.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -139.18 148.06 42.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.519 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -98.31 152.32 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.538 ' O ' ' CG1' ' A' ' 97' ' ' VAL . 34.4 p -118.0 172.63 7.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.445 ' C ' ' HD2' ' A' ' 26' ' ' ARG . 4.3 mp -130.71 128.39 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.564 ' NH2' ' CE1' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -125.24 171.82 10.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -109.8 129.69 55.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 31' ' ' SER . 14.9 tp10 -54.31 -35.09 62.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 t -62.88 -12.7 26.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 31' ' ' SER . 10.1 mm-40 -120.38 11.13 11.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.31 131.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.564 ' CE1' ' NH2' ' A' ' 26' ' ' ARG . 0.4 OUTLIER -148.39 -122.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.567 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.467 ' O ' ' O ' ' A' ' 32' ' ' HIS . 4.6 m-30 -44.3 175.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.88 -164.33 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.7 m -74.55 158.77 33.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.86 16.02 80.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.37 -171.55 2.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -106.81 147.91 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.0 mt -129.48 106.05 8.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -70.88 134.19 47.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.434 HG12 ' CG2' ' A' ' 53' ' ' ILE . 13.8 m -115.12 140.29 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.76 -141.33 4.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -148.18 137.31 21.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 0.767 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -74.5 -31.64 62.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' C ' ' OD1' ' A' ' 46' ' ' ASP . 1.5 mt-10 -48.57 -48.93 38.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.1 p-10 165.71 -33.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -39.56 -48.64 2.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.71 -153.22 52.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -37.76 112.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.518 ' CG ' ' OE1' ' A' ' 13' ' ' GLN . 1.7 t80 -110.4 -55.25 2.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.2 m -146.18 -175.88 4.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 108.302 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 m -128.11 154.23 45.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.392 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.584 HD13 ' CD2' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -141.13 172.56 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -121.89 145.25 48.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.466 HG11 ' CG2' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -75.38 151.67 6.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 100' ' ' PHE . 5.1 t -125.18 -45.99 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.16 170.2 18.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.489 ' CG2' HD13 ' A' ' 98' ' ' ILE . 1.4 m -148.38 149.0 30.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.16 169.05 25.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.5 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -110.81 105.85 14.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.356 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.526 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.97 173.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.475 ' HB ' ' OG1' ' A' ' 65' ' ' THR . 6.0 m -72.38 -152.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.41 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.6 OUTLIER -102.4 -66.92 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.94 -6.7 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.475 ' OG1' ' HB ' ' A' ' 62' ' ' THR . 1.0 OUTLIER -77.1 -2.45 34.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' ' 67' ' ' THR . 3.4 pp -173.24 -43.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.567 ' N ' ' O ' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -43.12 149.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.441 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.06 -22.91 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.244 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.517 ' CB ' ' CG2' ' A' ' 67' ' ' THR . 0.4 OUTLIER -49.24 -30.37 7.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -63.95 -52.67 58.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.612 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.17 90.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 76' ' ' MET . 15.7 tt0 -64.0 -44.68 91.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.432 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -53.63 -38.35 63.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.628 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 5.5 tt0 -92.46 20.96 5.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -135.68 -59.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.511 ' HB2' ' CD2' ' A' ' 81' ' ' LEU . 25.9 mmt -91.14 177.23 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 t -83.49 -179.15 7.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.35 -36.66 74.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.14 -53.95 52.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.63 -48.86 79.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.511 ' CD2' ' HB2' ' A' ' 76' ' ' MET . 0.3 OUTLIER -51.28 -48.56 62.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -32.54 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -52.66 62.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.486 HG23 ' N ' ' A' ' 85' ' ' ILE . 20.2 m -65.36 -38.45 82.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.486 ' N ' HG23 ' A' ' 84' ' ' VAL . 3.8 mt -56.94 -37.99 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.18 -34.86 63.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.609 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -71.97 -27.68 62.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.675 HG21 ' CG ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -91.95 -57.56 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.675 ' CG ' HG21 ' A' ' 88' ' ' ILE . 1.8 p90 161.45 162.47 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.488 ' O ' ' C ' ' A' ' 91' ' ' GLY . 18.3 Cg_endo -75.02 -92.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 90' ' ' PRO . . . 30.4 88.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.635 ' O ' ' CG ' ' A' ' 92' ' ' GLN . 4.5 tt0 -101.52 44.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.51 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 34.6 p -151.47 151.83 32.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.44 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 93' ' ' THR . 13.6 mt-30 -36.81 146.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.526 ' O ' ' O ' ' A' ' 61' ' ' VAL . 8.4 m-85 -158.94 -178.83 7.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.41 144.26 42.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 111.061 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.538 ' CG1' ' O ' ' A' ' 24' ' ' THR . 74.2 t -130.95 132.06 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.489 HD13 ' CG2' ' A' ' 58' ' ' THR . 4.0 mm -124.25 126.18 71.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.519 ' HA ' ' HA ' ' A' ' 23' ' ' ILE . 11.2 tt0 -95.48 157.07 16.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.584 ' CD2' HD13 ' A' ' 53' ' ' ILE . 9.7 p90 -146.83 167.48 23.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.41 139.11 40.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.9 t -92.68 123.99 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.325 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.51 0.195 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 178.6 65.64 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.82 13.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.515 1.797 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.448 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 1.9 t30 -93.68 159.15 15.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.609 ' CG ' ' CE2' ' A' ' 33' ' ' PHE . 5.4 m-20 -90.84 -54.04 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.528 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 2.2 tt -160.54 143.52 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.404 ' C ' ' CG ' ' A' ' 8' ' ' PHE . 1.8 p -106.07 173.23 6.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.528 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 33.2 m-85 -154.78 131.86 10.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.606 ' CE1' ' OD1' ' A' ' 87' ' ' ASP . 4.5 t80 -40.11 162.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.32 -46.41 88.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.583 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 3.5 mtt-85 -57.07 -38.3 73.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.687 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 3.8 m-85 -63.55 -40.25 96.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -53.46 46.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -58.39 -44.29 88.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -45.68 74.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 20' ' ' ARG . 37.9 mt -58.86 -44.02 89.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -33.65 70.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.67 17.37 22.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 20' ' ' ARG . . . -143.68 -78.92 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.533 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.9 tpm_? 86.71 26.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.47 100.26 0.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.622 ' O ' ' CE1' ' A' ' 100' ' ' PHE . 1.8 m -154.32 156.37 36.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.562 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -103.24 158.53 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.503 ' O ' ' CG1' ' A' ' 97' ' ' VAL . 21.7 p -127.16 173.35 9.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.726 ' CG2' ' CD1' ' A' ' 95' ' ' PHE . 4.3 mp -130.64 142.27 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.512 ' CG ' HG12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -139.59 171.83 13.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -99.87 128.93 45.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -55.83 -39.61 71.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.67 -13.73 25.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -120.06 9.15 11.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.17 111.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.48 ' NE2' ' NH2' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -110.78 -129.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.611 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.609 ' CE2' ' CG ' ' A' ' 5' ' ' ASP . 42.2 m-85 -43.13 168.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.0 -164.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.417 ' HA ' ' HB ' ' A' ' 55' ' ' VAL . 17.2 m -73.44 152.03 40.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 110.37 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.67 -14.34 42.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.451 1.094 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -87.08 -171.06 3.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 0.73 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.492 ' CG1' ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -108.23 151.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.507 ' CD2' ' NH2' ' A' ' 26' ' ' ARG . 18.0 mt -128.49 112.54 14.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.39 109.05 5.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.4 t -82.67 140.01 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -156.29 147.18 15.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.47 127.74 33.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 0.728 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -26.79 68.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -45.43 -48.04 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 165.75 -33.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.28 -57.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.1 156.93 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.148 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.546 ' O ' ' CG ' ' A' ' 49' ' ' TYR . 11.1 t80 37.12 81.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 111.005 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -97.6 -45.62 6.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -158.13 -174.03 4.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.492 ' CG2' ' CG1' ' A' ' 38' ' ' VAL . 3.0 m -125.91 142.44 51.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.55 ' CD1' ' C ' ' A' ' 53' ' ' ILE . 0.7 OUTLIER -134.52 171.92 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' N ' ' CD1' ' A' ' 53' ' ' ILE . 1.6 mt-10 -116.23 143.44 45.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -72.06 145.81 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.453 ' CG2' ' HB3' ' A' ' 99' ' ' GLU . 9.9 t -114.14 -47.07 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.433 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.46 169.26 22.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.526 ' CG2' HD12 ' A' ' 98' ' ' ILE . 1.4 m -155.93 139.37 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.81 164.79 35.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.518 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 1.2 p -93.81 120.99 34.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.382 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.518 ' CG2' ' C ' ' A' ' 60' ' ' THR . 0.0 OUTLIER -159.67 174.22 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.469 ' C ' ' OG1' ' A' ' 65' ' ' THR . 1.7 m -77.59 -155.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.438 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' A' ' 67' ' ' THR . 1.0 OUTLIER -98.5 -66.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.412 ' CB ' ' HD3' ' A' ' 69' ' ' LYS . 4.1 t0 -61.01 -8.59 3.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.469 ' OG1' ' C ' ' A' ' 62' ' ' THR . 1.4 p -74.48 -3.04 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -171.91 -42.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.578 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.2 t -42.87 154.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -48.91 -23.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.499 ' HG2' ' CD1' ' A' ' 81' ' ' LEU . 52.8 tttt -48.55 -29.91 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -70.68 -56.07 7.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.598 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.64 -50.35 74.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -61.57 -43.07 99.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.254 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.499 ' CB ' ' O ' ' A' ' 69' ' ' LYS . 8.1 tt0 -50.56 -38.75 46.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -101.05 31.4 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -148.11 -59.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.545 ' N ' ' O ' ' A' ' 72' ' ' GLU . 12.8 mmt -90.49 178.01 6.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 6.0 t -84.66 -173.86 4.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.424 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.461 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.1 OUTLIER -70.81 -41.69 71.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.4 m -57.54 -46.68 83.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.406 ' CB ' ' HB3' ' A' ' 76' ' ' MET . 0.0 OUTLIER -59.57 -40.84 88.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.499 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -61.71 -38.42 87.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -71.42 -29.58 65.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -53.33 16.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.6 m -64.75 -39.82 86.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.502 ' CD1' HD12 ' A' ' 63' ' ' LEU . 1.7 mm -62.52 -38.73 82.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.75 -20.91 52.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.606 ' OD1' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -85.87 -28.46 24.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.687 ' CD1' ' CZ ' ' A' ' 12' ' ' PHE . 2.3 tt -84.33 -58.07 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.632 ' CD2' HG21 ' A' ' 88' ' ' ILE . 16.3 p90 172.07 135.39 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 161.01 39.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.553 1.818 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.82 122.77 5.03 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -107.79 80.94 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 0.794 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.662 ' O ' ' CE2' ' A' ' 95' ' ' PHE . 22.9 p -144.62 153.56 41.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -68.86 147.65 51.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.329 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.726 ' CD1' ' CG2' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -162.78 -178.65 6.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.494 ' CD1' HG23 ' A' ' 60' ' ' THR . 0.8 OUTLIER -65.93 149.84 49.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 24' ' ' THR . 78.2 t -132.2 123.62 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.526 HD12 ' CG2' ' A' ' 58' ' ' THR . 2.8 mm -112.05 128.33 68.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.562 ' HA ' ' HA ' ' A' ' 23' ' ' ILE . 13.9 tt0 -98.04 152.54 19.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.622 ' CE1' ' O ' ' A' ' 22' ' ' THR . 20.3 p90 -138.29 152.21 48.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -155.27 145.94 22.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.466 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 6.5 t -92.72 128.39 38.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.322 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mmt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.457 0.17 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.519 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.5 OUTLIER -81.64 -50.77 0.88 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 110.334 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 2' ' ' GLN . 18.3 Cg_endo -75.01 176.78 9.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.79 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.41 ' ND2' ' HB3' ' A' ' 40' ' ' ARG . 2.4 t-20 -92.56 177.12 6.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -107.23 -42.93 4.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.556 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -164.95 138.53 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.493 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 5.0 p -100.73 176.89 5.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.632 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 59.8 m-85 -159.33 128.56 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.789 ' CZ ' ' CD2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -36.64 154.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 110.984 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -49.59 -47.42 49.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -48.92 -32.77 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.789 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -75.42 -32.58 60.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -42.77 89.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -69.74 -52.48 25.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.22 -47.84 74.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.6 mt -55.92 -46.2 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -24.55 57.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.97 -2.29 29.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 56.75 62.61 6.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 21' ' ' LYS . 15.3 mtt180 -127.34 97.21 4.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -36.15 106.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.423 HG22 ' CE1' ' A' ' 12' ' ' PHE . 24.5 m -118.19 151.74 37.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.45 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.501 HG22 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -95.95 158.1 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 31.1 p -130.62 162.81 28.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.405 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.707 ' CG2' ' CD1' ' A' ' 95' ' ' PHE . 4.3 mp -121.74 141.42 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.531 ' NH1' ' CD1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -143.24 171.35 14.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 29' ' ' SER . 16.0 t0 -101.36 134.21 44.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 5.9 tp10 -48.55 -52.84 20.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.439 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 78.9 p -57.24 -17.53 12.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -129.73 32.91 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -54.41 -170.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.548 ' CE1' HG22 ' A' ' 98' ' ' ILE . 26.0 p-80 -113.61 -146.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.624 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -94.61 -67.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.033 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -177.61 -165.05 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.2 m -96.6 154.43 17.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.419 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.26 -14.39 45.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.46 -174.18 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.445 ' CG1' ' CG2' ' A' ' 52' ' ' THR . 1.1 t -105.52 141.53 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.473 ' O ' ' CG1' ' A' ' 53' ' ' ILE . 14.8 mt -123.75 103.93 8.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.41 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -57.03 117.18 3.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.342 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.0 p -95.75 143.62 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 48' ' ' GLY . . . -143.01 -131.89 2.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -149.16 127.99 12.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 110.261 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -69.56 -30.25 68.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -48.87 54.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.5 OUTLIER 164.63 -32.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' ASP . 1.1 t0 -40.11 -55.22 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.522 ' O ' ' CA ' ' A' ' 42' ' ' GLY . . . 81.86 -148.9 27.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' GLY . 8.8 t80 -34.92 135.88 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.408 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 2.5 t80 -144.68 -49.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 50' ' ' PHE . 56.5 m -150.77 -175.5 5.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 108.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.445 ' CG2' ' CG1' ' A' ' 38' ' ' VAL . 23.8 m -123.12 140.94 52.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.661 ' CD1' ' CG ' ' A' ' 100' ' ' PHE . 1.2 pt -126.6 171.99 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -127.27 136.34 51.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -68.97 164.58 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.3 t -138.62 -45.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.59 169.08 19.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.518 ' OG1' ' CG2' ' A' ' 98' ' ' ILE . 1.8 m -155.68 138.46 15.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -158.25 166.35 32.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.496 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -99.71 119.23 37.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.519 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -159.71 175.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.477 ' C ' ' OG1' ' A' ' 65' ' ' THR . 0.2 OUTLIER -77.29 -154.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 67' ' ' THR . 1.0 OUTLIER -97.86 -66.58 0.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.404 ' H ' ' HG ' ' A' ' 63' ' ' LEU . 1.8 t0 -61.9 -7.02 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.248 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.477 ' OG1' ' C ' ' A' ' 62' ' ' THR . 1.2 p -76.69 -2.64 33.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.44 HD11 ' N ' ' A' ' 67' ' ' THR . 1.0 OUTLIER -172.82 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.573 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.1 t -41.92 153.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.389 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.56 -22.81 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.517 ' HB3' ' CG2' ' A' ' 67' ' ' THR . 52.0 tttt -48.72 -31.99 7.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -69.17 -55.81 9.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.579 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.7 68.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -71.77 -44.91 63.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.509 ' CA ' HD12 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -50.59 -34.15 24.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.91 29.76 4.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -150.72 -60.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.557 ' N ' ' O ' ' A' ' 72' ' ' GLU . 18.1 mmt -90.21 177.97 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 8.6 t -90.2 -167.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.2 OUTLIER -72.11 -39.82 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -55.64 -55.44 32.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 76' ' ' MET . 1.3 mt-10 -56.03 -43.88 78.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.509 HD12 ' CA ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -59.88 -34.83 73.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -30.59 64.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -53.15 30.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.436 HG21 ' N ' ' A' ' 85' ' ' ILE . 11.5 m -59.88 -41.55 86.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.493 ' CD1' ' HD2' ' A' ' 69' ' ' LYS . 6.7 mm -60.15 -40.37 83.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.64 -23.93 60.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.68 -28.99 27.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.647 ' O ' ' HB3' ' A' ' 89' ' ' TYR . 1.7 tt -83.69 -57.89 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.647 ' HB3' ' O ' ' A' ' 88' ' ' ILE . 10.4 p90 161.92 143.55 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 148.23 34.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.7 125.15 5.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.29 71.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.636 ' O ' ' CZ ' ' A' ' 95' ' ' PHE . 17.8 p -127.51 152.09 48.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -74.29 152.86 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.707 ' CD1' ' CG2' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -163.13 -178.09 5.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.14 151.16 46.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.495 ' CG1' HG23 ' A' ' 23' ' ' ILE . 64.8 t -136.78 124.6 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.548 HG22 ' CE1' ' A' ' 32' ' ' HIS . 1.8 mm -113.85 122.3 67.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.501 ' CG ' HG22 ' A' ' 23' ' ' ILE . 17.5 tt0 -96.36 146.06 25.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.661 ' CG ' ' CD1' ' A' ' 53' ' ' ILE . 3.8 p90 -147.45 165.65 29.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 111.001 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.423 ' HB2' ' CG ' ' A' ' 21' ' ' LYS . 2.1 pttt -139.18 150.96 46.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 7.5 t -91.61 127.15 36.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 108.313 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.417 ' O ' ' CB ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.527 0.203 . . . . 0.0 110.978 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.464 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.8 OUTLIER 166.7 -53.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 2' ' ' GLN . 18.4 Cg_endo -74.95 172.48 16.26 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 4.7 t30 -64.18 160.01 19.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.602 ' CG ' ' CE2' ' A' ' 33' ' ' PHE . 16.1 m-20 -106.27 -45.65 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.578 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 11.2 tt -164.28 150.64 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.581 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.3 p -114.04 165.95 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.434 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.584 ' CE1' HG21 ' A' ' 24' ' ' THR . 48.9 m-85 -156.13 125.34 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.616 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -45.68 172.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.475 ' HB2' ' CG ' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -61.11 -41.45 96.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.413 ' C ' ' OE1' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -49.22 -42.68 41.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.509 ' CD2' ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -65.09 -36.88 85.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 111.001 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -46.32 74.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.2 -48.84 80.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -59.03 -39.03 80.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.483 ' CG2' ' HB2' ' A' ' 102' ' ' CYS . 30.6 mt -62.29 -45.33 99.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.96 -24.67 62.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.91 14.51 8.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 69.18 -124.63 16.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 43.03 93.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 110.26 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -37.49 103.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 m -81.11 139.34 35.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.494 HG21 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -103.32 148.66 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.584 HG21 ' CE1' ' A' ' 8' ' ' PHE . 50.4 p -125.47 172.79 9.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.382 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.419 ' CD1' ' OH ' ' A' ' 89' ' ' TYR . 4.4 mp -122.72 140.83 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.457 ' CG ' HG12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -139.65 171.42 14.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -102.32 132.52 48.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.04 -37.47 77.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -8.2 37.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 31' ' ' SER . 2.8 mt-10 -118.6 1.36 11.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -37.15 116.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.424 ' O ' ' O ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -118.73 -128.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.567 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.602 ' CE2' ' CG ' ' A' ' 5' ' ' ASP . 40.9 m-85 -42.89 168.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.14 -169.9 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.406 ' HA ' ' HB ' ' A' ' 55' ' ' VAL . 7.5 m -71.52 151.97 43.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.12 -13.55 49.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.406 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -89.06 -169.5 2.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 0.778 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.2 t -107.88 146.56 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 53' ' ' ILE . 14.7 mt -122.9 113.34 18.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 134.54 53.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 42' ' ' GLY . 63.4 t -128.13 165.94 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.457 ' N ' ' CG1' ' A' ' 41' ' ' VAL . . . 176.15 93.84 0.09 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -69.03 136.54 52.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -70.69 -31.52 68.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.489 ' OE2' ' CE1' ' A' ' 9' ' ' PHE . 6.8 mp0 -45.3 -43.15 10.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.05 -36.19 15.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 171.77 -52.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . 139.17 -136.01 7.67 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 4' ' ' ASN . 14.5 m-30 -37.57 97.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 0.754 . . . . 0.0 111.056 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.458 ' C ' ' SG ' ' A' ' 51' ' ' CYS . 2.7 t80 -176.59 34.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.458 ' SG ' ' C ' ' A' ' 50' ' ' PHE . 2.7 m -150.54 168.68 23.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 108.3 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.4 m -151.22 144.55 24.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.604 HD11 ' CG ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -144.07 170.27 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.556 ' N ' ' CD1' ' A' ' 53' ' ' ILE . 4.6 tt0 -125.7 132.65 52.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.42 ' CG2' HD12 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -60.51 161.97 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.412 ' CG2' ' N ' ' A' ' 57' ' ' ALA . 3.2 t -139.45 -46.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -148.26 169.39 20.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.527 ' CG2' HD11 ' A' ' 98' ' ' ILE . 1.3 m -152.18 145.04 24.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.68 168.53 27.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.489 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -102.69 112.19 24.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.39 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.524 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -158.74 175.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.506 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 6.7 m -84.12 -154.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.654 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.6 OUTLIER -96.84 -71.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -56.23 -9.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.506 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 3.6 p -78.3 1.36 22.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.423 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.447 HD11 ' N ' ' A' ' 67' ' ' THR . 2.5 pp -177.56 -41.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.654 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.0 OUTLIER -42.97 152.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' OE1' ' C ' ' A' ' 11' ' ' ARG . 1.1 mt-10 -49.64 -23.48 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.542 ' HB3' ' CG2' ' A' ' 67' ' ' THR . 22.0 tttt -48.88 -29.56 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -72.39 -54.59 8.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.591 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.84 -38.75 73.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 76' ' ' MET . 2.8 tt0 -72.03 -43.66 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.477 ' CG ' HD12 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -49.07 -36.5 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.9 25.63 4.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.1 t-20 -145.5 -63.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.53 ' N ' ' O ' ' A' ' 72' ' ' GLU . 17.2 mmt -90.61 178.1 6.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 2.0 t -96.86 173.43 7.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.359 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.406 ' N ' ' OG1' ' A' ' 77' ' ' THR . 2.0 mp -55.02 -34.48 63.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -56.46 -57.6 11.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -45.4 93.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.493 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -53.79 -41.26 67.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -34.52 72.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.79 -54.13 43.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.498 ' O ' ' CG1' ' A' ' 88' ' ' ILE . 13.9 m -63.94 -49.22 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.461 ' CD1' ' HD2' ' A' ' 69' ' ' LYS . 2.8 mm -52.19 -41.39 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.58 -23.62 59.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.616 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -80.98 -29.06 35.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.572 HG22 ' CD2' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -90.4 -63.18 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.572 ' CD2' HG22 ' A' ' 88' ' ' ILE . 6.7 p90 171.44 143.34 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -167.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.28 114.86 0.19 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.433 ' HA ' ' CD2' ' A' ' 63' ' ' LEU . 1.5 tm0? -115.4 68.64 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.1 p -143.36 151.88 40.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 110.368 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -41.92 142.94 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.524 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.7 m-85 -161.17 -177.36 6.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.65 133.01 37.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 24' ' ' THR . 55.2 t -116.28 138.23 47.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.527 HD11 ' CG2' ' A' ' 58' ' ' THR . 4.4 mm -128.83 118.67 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.494 ' CG ' HG21 ' A' ' 23' ' ' ILE . 6.9 tt0 -95.12 140.97 29.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.604 ' CG ' HD11 ' A' ' 53' ' ' ILE . 4.9 p90 -148.91 169.27 20.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.425 ' HE2' ' N ' ' A' ' 21' ' ' LYS . 17.2 mttt -127.9 155.16 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.483 ' HB2' ' CG2' ' A' ' 16' ' ' ILE . 4.0 t -79.18 104.82 10.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 108.248 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 mtm . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.54 0.21 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -159.76 109.7 1.46 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.76 17.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -62.99 166.75 5.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.367 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -107.99 -41.03 5.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.546 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -164.41 140.13 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.431 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -102.13 160.51 14.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.546 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 18.6 m-85 -144.61 120.5 10.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.615 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 7.8 t80 -40.8 158.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.424 ' HB2' ' CG ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -49.82 -54.45 19.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.585 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 11.6 mtp-105 -51.55 -48.98 62.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.683 ' CE1' ' CD1' ' A' ' 88' ' ' ILE . 7.4 m-85 -63.83 -33.7 76.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.049 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -46.9 72.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -58.6 -49.64 76.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.254 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.63 -49.09 71.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.0 mt -58.51 -42.1 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -24.06 58.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.44 -2.11 27.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 56.61 38.56 82.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -102.9 101.13 11.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 110.331 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -36.61 104.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.3 m -124.41 155.51 38.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.485 ' CG2' ' HG3' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -99.86 154.7 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.581 HG22 ' CE2' ' A' ' 100' ' ' PHE . 81.2 p -138.08 174.27 10.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.462 ' CD1' ' HB ' ' A' ' 67' ' ' THR . 3.5 mp -124.47 141.16 45.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.529 ' CG ' HG12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -135.49 171.46 14.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.584 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 19.1 t0 -100.03 131.25 46.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -53.99 -43.85 70.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -60.1 -18.65 48.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.999 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' SER . 19.3 mt-10 -120.43 16.72 12.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.51 155.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -93.92 -142.78 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.617 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.9 -66.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.12 -171.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.4 m -81.97 153.88 26.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.98 -14.28 44.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.89 -170.08 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.488 ' CG1' ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -107.44 153.0 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.403 ' N ' HG13 ' A' ' 38' ' ' VAL . 11.6 mt -134.58 108.87 8.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.69 129.7 42.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.514 HG21 ' CD1' ' A' ' 8' ' ' PHE . 7.6 p -111.22 135.83 49.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 43' ' ' ARG . . . -118.46 -134.69 5.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.471 ' N ' ' HA2' ' A' ' 48' ' ' GLY . 1.4 ttt180 174.2 126.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 110.267 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -76.14 -26.52 56.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -41.59 -32.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -133.35 -51.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER 164.4 -21.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.471 ' HA2' ' N ' ' A' ' 43' ' ' ARG . . . 166.29 137.02 2.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.44 1.088 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.602 ' CD2' ' SG ' ' A' ' 51' ' ' CYS . 2.6 t80 -87.78 -15.84 35.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 0.773 . . . . 0.0 111.055 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 66.19 59.9 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.602 ' SG ' ' CD2' ' A' ' 49' ' ' TYR . 81.1 m -130.62 -173.72 3.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 108.253 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.488 ' CG2' ' CG1' ' A' ' 38' ' ' VAL . 63.8 m -150.93 155.68 39.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.534 HD12 ' CG ' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -141.17 168.07 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.482 ' N ' ' CD1' ' A' ' 53' ' ' ILE . 0.9 OUTLIER -118.65 137.54 53.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.84 160.54 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 57' ' ' ALA . 9.7 t -136.96 -44.84 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -149.03 168.58 22.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.511 ' CG2' HD12 ' A' ' 98' ' ' ILE . 1.3 m -148.93 151.46 34.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.428 ' N ' HG23 ' A' ' 58' ' ' THR . 0.0 OUTLIER -157.62 168.95 25.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.505 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -115.83 106.43 13.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.409 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.528 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.36 173.28 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.479 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 1.1 m -69.62 -154.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.619 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -100.7 -71.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.402 ' CG ' ' HD3' ' A' ' 69' ' ' LYS . 4.0 t0 -56.41 -8.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.48 ' H ' ' C ' ' A' ' 63' ' ' LEU . 2.1 p -74.97 -3.72 33.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.408 HD11 ' C ' ' A' ' 66' ' ' LEU . 3.9 pp -175.21 -39.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.619 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.1 t -41.71 151.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -51.94 -23.54 5.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.565 ' HB3' ' CG2' ' A' ' 67' ' ' THR . 2.7 tttm -48.16 -39.62 21.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.464 ' HD1' ' N ' ' A' ' 71' ' ' ALA . 0.3 OUTLIER -63.56 -52.69 59.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.59 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.464 ' N ' ' HD1' ' A' ' 70' ' ' HIS . . . -52.11 -43.39 63.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 76' ' ' MET . 2.1 tt0 -67.36 -43.72 80.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.495 ' HB2' ' CD1' ' A' ' 81' ' ' LEU . 2.6 tt0 -49.62 -34.74 18.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.631 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 6.7 tt0 -92.42 20.37 6.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' GLU . 7.1 t-20 -142.56 -62.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.531 ' N ' ' O ' ' A' ' 72' ' ' GLU . 33.6 mmt -90.27 178.31 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 1.4 t -87.38 178.82 6.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.488 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.9 OUTLIER -67.77 -38.3 83.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.1 m -56.55 -56.57 19.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -54.38 -45.53 72.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.527 ' CD2' ' HB3' ' A' ' 72' ' ' GLU . 6.6 mt -60.34 -31.15 70.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -35.66 70.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -53.6 31.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.1 m -62.88 -44.27 99.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 81' ' ' LEU . 2.0 mm -56.05 -41.55 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.28 -26.96 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.615 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -79.54 -27.8 41.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.683 ' CD1' ' CE1' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -88.65 -57.27 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.677 ' CG ' HG21 ' A' ' 88' ' ' ILE . 7.2 p90 164.78 146.57 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -163.66 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.27 115.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.438 ' HA ' ' CD2' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -115.2 52.32 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 110.28 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 94' ' ' GLN . 22.3 p -132.51 152.74 51.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.424 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 93' ' ' THR . 7.5 mt-30 -34.32 144.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -161.83 -178.12 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -76.43 141.85 41.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.093 . . . . 0.0 111.008 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.506 ' HA ' ' O ' ' A' ' 24' ' ' THR . 52.9 t -130.23 134.42 62.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.529 HG12 ' CG ' ' A' ' 26' ' ' ARG . 3.9 mm -127.75 121.72 57.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.485 ' HG3' ' CG2' ' A' ' 23' ' ' ILE . 12.0 tt0 -95.27 133.82 38.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.581 ' CE2' HG22 ' A' ' 24' ' ' THR . 23.7 p90 -148.96 169.08 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -136.04 157.73 46.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -91.38 125.3 36.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.2 mtt . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.506 0.193 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -135.33 123.28 15.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 175.78 10.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 6' ' ' ILE . 10.2 t-20 -56.78 173.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -115.88 -37.79 3.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.557 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 6.4 tt -154.83 135.71 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -102.94 161.67 13.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.557 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 53.0 m-85 -146.17 114.89 6.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.618 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 6.9 t80 -48.97 166.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.417 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.5 OUTLIER -53.82 -45.36 70.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.04 -47.74 83.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -39.62 93.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -46.33 82.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -57.54 -46.58 83.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.96 -47.23 78.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.1 mt -56.08 -42.7 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -24.46 62.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.31 -6.81 51.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . 84.01 -46.24 3.62 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 19' ' ' GLY . 4.3 mtt180 -38.2 100.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.35 156.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 m -152.89 151.13 30.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.406 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.504 HG21 ' CG ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -97.01 154.12 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.52 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 18.2 p -124.71 173.73 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.458 ' CD1' ' HB ' ' A' ' 67' ' ' THR . 3.8 mp -132.72 135.04 57.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -136.45 171.0 15.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.253 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' SER . 16.6 t0 -97.89 130.42 44.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 28' ' ' GLU . 4.4 tp10 -47.16 -47.86 23.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.435 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 7.4 p -56.59 -21.12 24.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.4 mt-10 -129.48 27.45 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' ASP . 4.9 t -128.67 96.56 4.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.021 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -149.13 114.51 5.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.583 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -178.19 -156.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.84 165.21 28.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.6 m -85.55 167.27 15.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.02 13.73 60.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.61 -171.66 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.336 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.469 ' CG1' ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -99.84 149.55 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.472 ' O ' HG13 ' A' ' 53' ' ' ILE . 9.3 mt -135.15 112.47 10.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.08 130.82 48.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 51' ' ' CYS . 3.0 p -115.15 134.57 57.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -152.98 134.43 4.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.42 ' N ' ' HA2' ' A' ' 48' ' ' GLY . 0.5 OUTLIER -91.02 126.52 36.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -73.29 -25.85 60.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.97 -40.37 2.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 5.1 p-10 -112.86 -50.52 2.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER 165.2 -26.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.42 ' HA2' ' N ' ' A' ' 43' ' ' ARG . . . 149.89 135.83 2.5 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.628 ' CD2' ' SG ' ' A' ' 51' ' ' CYS . 1.4 t80 -83.55 -6.23 59.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 55.44 52.84 10.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.628 ' SG ' ' CD2' ' A' ' 49' ' ' TYR . 97.7 m -114.99 -172.01 2.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.275 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.469 ' CG2' ' CG1' ' A' ' 38' ' ' VAL . 8.1 m -151.31 151.33 31.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.577 HD13 ' CD2' ' A' ' 100' ' ' PHE . 1.1 pp -138.7 172.45 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -121.19 137.53 54.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.09 156.26 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.8 t -128.7 -43.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.071 . . . . 0.0 110.363 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -155.43 169.74 23.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.518 ' CG2' HD11 ' A' ' 98' ' ' ILE . 1.3 m -149.8 150.2 31.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.421 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.39 169.45 24.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.485 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -112.49 108.75 17.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.508 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -157.16 173.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.495 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 1.1 m -70.78 -153.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.565 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.8 OUTLIER -101.54 -71.62 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.497 ' OD1' ' CE ' ' A' ' 69' ' ' LYS . 1.8 t0 -58.49 -8.76 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.364 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.495 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.1 p -71.32 -8.3 52.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.421 HD12 ' CG1' ' A' ' 97' ' ' VAL . 2.0 pp -170.8 -40.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.565 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.2 t -42.05 154.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.4 -23.73 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.497 ' CE ' ' OD1' ' A' ' 64' ' ' ASP . 30.5 tttt -48.14 -30.29 4.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -75.86 -51.23 12.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.607 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.13 -52.6 62.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.551 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.5 OUTLIER -64.17 -41.93 96.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.526 ' CA ' HD11 ' A' ' 81' ' ' LEU . 4.6 tt0 -48.43 -35.68 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.0 26.32 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.4 m-20 -147.5 -62.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.551 ' N ' ' O ' ' A' ' 72' ' ' GLU . 25.4 mmt -90.48 178.19 6.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.0 t -85.71 -179.94 6.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.58 -38.19 70.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -55.36 34.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.15 -47.09 72.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.526 HD11 ' CA ' ' A' ' 73' ' ' GLN . 9.8 mt -58.33 -32.9 68.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.03 -35.08 71.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -54.06 32.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 85' ' ' ILE . 4.7 m -62.72 -46.5 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.485 ' CD1' ' HD2' ' A' ' 69' ' ' LYS . 1.9 mm -55.3 -40.29 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.88 -26.18 62.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.618 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -81.16 -28.11 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.703 HG22 ' CG ' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -85.83 -57.54 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.703 ' CG ' HG22 ' A' ' 88' ' ' ILE . 2.9 p90 162.89 153.42 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.24 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.442 1.759 . . . . 0.0 111.039 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.501 ' O ' ' CD2' ' A' ' 63' ' ' LEU . . . 84.93 111.92 0.68 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.552 1.158 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.12 40.08 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.537 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 23.6 p -135.98 152.4 50.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.492 ' O ' ' CD1' ' A' ' 95' ' ' PHE . 5.3 mt-30 -33.75 145.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' A' ' 93' ' ' THR . 8.4 m-85 -161.5 -178.14 6.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.61 134.08 36.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 24' ' ' THR . 74.7 t -119.14 130.3 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.518 HD11 ' CG2' ' A' ' 58' ' ' THR . 3.8 mm -120.4 123.43 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.504 ' CG ' HG21 ' A' ' 23' ' ' ILE . 11.3 tt0 -97.13 144.34 27.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.577 ' CD2' HD13 ' A' ' 53' ' ' ILE . 9.0 p90 -148.77 172.08 15.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.3 pttm -147.2 150.25 34.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.2 t -92.85 126.15 37.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.452 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 1.9 t-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.508 ' OD2' ' CE2' ' A' ' 33' ' ' PHE . 5.4 m-20 -94.42 -53.63 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 1.046 HD12 ' NE ' ' A' ' 26' ' ' ARG . 10.1 tt -150.61 142.76 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.577 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 2.3 p -104.94 176.34 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.425 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.843 ' CD1' HG23 ' A' ' 41' ' ' VAL . 45.8 m-85 -162.19 117.46 1.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.606 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 6.8 t80 -37.41 155.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.411 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -49.37 -47.55 47.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.254 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.581 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 4.2 mtt180 -59.33 -47.97 83.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -65.01 -38.08 89.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -46.39 84.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -59.12 -48.58 81.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -36.49 74.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.3 mt -64.07 -45.27 97.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.487 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.16 -24.64 59.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.84 7.93 19.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 76.21 -120.27 5.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER 43.01 94.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 110.227 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.92 148.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.9 m -150.51 155.66 39.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.574 HG23 ' CB ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -96.46 155.93 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.915 ' O ' HG13 ' A' ' 97' ' ' VAL . 21.6 p -123.12 173.68 7.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.874 HG13 HG22 ' A' ' 97' ' ' VAL . 3.2 mp -136.53 129.38 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 1.046 ' NE ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -131.08 172.0 12.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.436 ' OD2' ' N ' ' A' ' 28' ' ' GLU . 16.6 t0 -108.65 129.72 55.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.436 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 2.3 tp10 -49.54 -44.49 46.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 t -60.89 -14.84 24.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' SER . 1.8 mt-10 -122.94 17.42 10.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.04 104.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.996 ' CD2' HH21 ' A' ' 26' ' ' ARG . 0.0 OUTLIER -85.29 -138.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.508 ' CE2' ' OD2' ' A' ' 5' ' ' ASP . 1.5 m-85 -54.54 -167.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.052 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.656 ' O ' HG21 ' A' ' 55' ' ' VAL . 12.6 mttt -138.55 -172.6 3.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.4 m -72.09 162.79 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.04 14.04 37.08 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.555 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -115.59 -170.12 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.661 HG13 HG22 ' A' ' 52' ' ' THR . 1.0 OUTLIER -105.27 143.55 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.504 HD12 HG22 ' A' ' 55' ' ' VAL . 17.3 mt -124.43 104.6 8.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.35 119.97 10.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.843 HG23 ' CD1' ' A' ' 8' ' ' PHE . 9.8 p -100.12 147.39 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.8 147.37 9.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.407 ' CG ' ' HA ' ' A' ' 10' ' ' GLN . 2.4 ttm180 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 110.255 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.661 HG22 HG13 ' A' ' 38' ' ' VAL . 1.3 m -120.43 142.46 49.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.717 HD13 ' CD1' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -130.57 172.66 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -124.72 142.8 51.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.656 HG21 ' O ' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -74.28 160.68 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.5 t -131.35 -41.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -154.13 169.29 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.984 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.9 m -146.15 151.3 37.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.376 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.2 169.37 24.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.952 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.478 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -115.75 108.45 16.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.37 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.496 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -156.24 172.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.481 ' HB ' HG23 ' A' ' 65' ' ' THR . 1.3 m -70.04 -153.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.9 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -100.54 -72.81 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.505 ' HA ' HG22 ' A' ' 67' ' ' THR . 2.5 t0 -56.33 -11.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.481 HG23 ' HB ' ' A' ' 62' ' ' THR . 1.2 p -68.17 -8.49 39.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.368 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.692 HD21 HG21 ' A' ' 97' ' ' VAL . 1.6 pp -170.51 -39.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.919 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.3 t -42.0 153.6 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.72 -23.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.966 ' HD2' HD11 ' A' ' 85' ' ' ILE . 63.5 tttt -49.03 -30.76 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -54.69 11.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.579 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.63 -36.1 69.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -72.37 -45.02 61.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.5 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -50.33 -36.57 32.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.14 27.94 4.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -147.34 -61.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.558 ' N ' ' O ' ' A' ' 72' ' ' GLU . 13.2 mmt -90.45 177.37 6.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 7.0 t -89.72 -175.37 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.437 ' N ' ' OG1' ' A' ' 77' ' ' THR . 4.9 mp -66.72 -38.86 87.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 49.7 m -56.07 -53.18 60.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.424 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.26 -43.83 92.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.504 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -58.9 -38.36 78.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -72.52 -29.22 63.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.338 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -52.96 28.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 81' ' ' LEU . 6.1 m -63.43 -44.04 98.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.966 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.8 mm -57.35 -40.34 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.27 -25.92 60.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.606 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -80.51 -28.13 37.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.635 ' O ' ' HB3' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -87.95 -57.54 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.635 ' HB3' ' O ' ' A' ' 88' ' ' ILE . 5.9 p90 162.33 150.83 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.92 17.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.8 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.15 119.8 1.78 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.9 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -116.05 53.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 110.27 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' GLN . 42.9 p -122.21 152.67 39.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.153 . . . . 0.0 110.436 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.435 ' N ' HG23 ' A' ' 62' ' ' THR . 9.9 mt-30 -37.68 150.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.496 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -161.43 -178.25 6.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -85.55 132.49 34.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.915 HG13 ' O ' ' A' ' 24' ' ' THR . 74.2 t -117.35 133.29 64.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.984 HG23 ' OG1' ' A' ' 58' ' ' THR . 2.6 mm -125.03 126.01 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.574 ' CB ' HG23 ' A' ' 23' ' ' ILE . 7.7 tt0 -96.0 146.95 24.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.377 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.717 ' CD1' HD13 ' A' ' 53' ' ' ILE . 5.2 p90 -147.98 166.33 28.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.84 152.1 46.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.3 t -91.47 108.66 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 108.294 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 6' ' ' ILE . 18.3 t-20 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.487 ' CG ' ' CE2' ' A' ' 33' ' ' PHE . 1.7 m-20 -94.18 -45.94 7.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.659 HD13 ' NH1' ' A' ' 26' ' ' ARG . 1.3 tt -163.41 139.29 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 2.6 p -101.49 174.85 5.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.397 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.544 ' CE1' HG12 ' A' ' 41' ' ' VAL . 55.7 m-85 -155.78 130.4 9.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.613 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 7.4 t80 -42.44 162.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.51 -53.18 49.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.577 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 7.4 mtp180 -50.05 -49.09 52.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 68' ' ' GLU . 4.2 m-85 -64.07 -40.11 95.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -49.63 75.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.628 ' HA ' HD23 ' A' ' 17' ' ' LEU . 2.9 t70 -59.38 -45.57 91.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.66 -39.1 64.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.505 HG12 ' CZ ' ' A' ' 100' ' ' PHE . 5.3 mt -67.73 -46.35 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.628 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.85 -25.02 62.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.87 -1.85 27.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.86 60.61 8.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.448 1.093 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -124.25 96.43 4.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 110.294 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -38.63 101.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.33 158.71 27.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.839 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -99.69 152.96 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.908 ' O ' HG13 ' A' ' 97' ' ' VAL . 64.1 p -118.72 175.1 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.595 HD11 ' CB ' ' A' ' 67' ' ' THR . 4.0 mp -127.32 140.36 49.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.659 ' NH1' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -141.39 171.75 13.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -107.98 134.21 51.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -55.77 -40.98 73.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.6 p -61.53 -14.77 32.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -119.06 9.29 11.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.26 114.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.412 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -108.86 -135.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.589 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.487 ' CE2' ' CG ' ' A' ' 5' ' ' ASP . 40.6 m-85 -47.88 177.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.571 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -132.44 -164.64 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.3 m -71.23 149.06 46.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.09 -15.39 44.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.638 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -86.26 -169.4 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.712 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -108.83 147.38 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.7 mt -127.8 109.13 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.532 ' HG3' HG23 ' A' ' 52' ' ' THR . 6.6 ttt85 -75.75 122.16 23.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.544 HG12 ' CE1' ' A' ' 8' ' ' PHE . 7.0 m -95.05 124.07 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 7' ' ' THR . . . -135.55 121.79 2.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 110.254 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 35.9 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.712 HG22 HG13 ' A' ' 38' ' ' VAL . 1.5 m -124.4 151.75 44.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.609 HD11 ' CG ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -143.99 172.05 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -114.14 150.86 33.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.3 OUTLIER -76.24 154.04 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.352 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.425 HG22 ' N ' ' A' ' 100' ' ' PHE . 4.5 t -123.36 -41.09 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.381 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.64 169.71 23.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.951 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.2 m -148.4 149.46 31.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.58 167.84 29.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.051 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.533 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -112.0 110.72 21.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 60' ' ' THR . 0.2 OUTLIER -157.11 171.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.556 HG23 ' N ' ' A' ' 94' ' ' GLN . 1.4 m -68.18 -153.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.392 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.707 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -100.47 -71.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.433 ' HA ' HG22 ' A' ' 67' ' ' THR . 5.5 t0 -57.25 -9.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.453 ' OG1' ' C ' ' A' ' 62' ' ' THR . 1.2 p -71.66 -5.45 33.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.961 HD12 ' N ' ' A' ' 67' ' ' THR . 3.6 pp -172.54 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.961 ' N ' HD12 ' A' ' 66' ' ' LEU . 1.2 t -42.83 153.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -49.13 -23.6 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.423 1.077 . . . . 0.0 110.264 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.943 ' H ' HG23 ' A' ' 67' ' ' THR . 37.7 tttt -48.2 -32.41 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -67.63 -54.79 16.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.638 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.51 -38.32 71.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -69.61 -44.83 69.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.537 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -51.02 -35.03 32.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.63 28.75 4.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.403 ' HB3' ' HE3' ' A' ' 76' ' ' MET . 3.6 t-20 -148.11 -59.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.513 ' N ' ' O ' ' A' ' 72' ' ' GLU . 27.8 mmt -90.53 177.59 6.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.518 ' O ' HD23 ' A' ' 81' ' ' LEU . 8.1 t -92.89 171.67 8.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -38.05 66.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.489 ' HB ' HG23 ' A' ' 77' ' ' THR . 0.9 OUTLIER -56.25 -57.76 10.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.411 ' OE1' ' SD ' ' A' ' 76' ' ' MET . 3.2 mt-10 -56.38 -46.26 80.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.537 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -54.45 -37.91 65.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -31.35 65.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -53.37 37.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.481 HG12 ' HE2' ' A' ' 9' ' ' PHE . 5.3 m -62.9 -43.92 99.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.942 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.5 mm -57.05 -39.19 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.19 -26.61 60.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.613 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -80.08 -27.61 39.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.632 HG23 ' CG ' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -88.36 -57.64 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.632 ' CG ' HG23 ' A' ' 88' ' ' ILE . 7.7 p90 165.11 148.02 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.3 Cg_endo -75.01 -179.26 4.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.81 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.62 113.95 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.707 ' HA ' HD21 ' A' ' 63' ' ' LEU . 2.9 tm0? -110.2 88.68 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.49 ' C ' HG23 ' A' ' 62' ' ' THR . 15.1 p -149.48 152.6 35.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.556 ' N ' HG23 ' A' ' 62' ' ' THR . 4.7 mt-30 -34.71 144.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.516 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -161.9 -178.75 6.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 111.006 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.468 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.1 OUTLIER -79.29 141.88 36.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.908 HG13 ' O ' ' A' ' 24' ' ' THR . 61.2 t -128.98 134.93 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.951 HG23 ' OG1' ' A' ' 58' ' ' THR . 4.9 mm -127.56 128.67 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.839 ' CG ' HG23 ' A' ' 23' ' ' ILE . 14.0 tt0 -96.17 153.74 17.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.586 1.179 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.609 ' CG ' HD11 ' A' ' 53' ' ' ILE . 6.7 p90 -143.18 174.16 10.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -152.51 148.51 27.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.5 t -92.68 130.62 38.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 108.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.435 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 2.8 t30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.435 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 3.1 m-20 -93.43 -53.08 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.518 HG21 ' NH2' ' A' ' 26' ' ' ARG . 14.6 tt -164.04 164.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.586 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -138.9 167.85 21.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.634 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -154.18 162.2 41.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.638 ' CD2' HD12 ' A' ' 88' ' ' ILE . 7.7 p90 -40.23 163.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -37.06 84.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 7.5 mtp-105 -52.65 -19.82 2.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.624 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -79.6 -42.04 25.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -42.14 94.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -69.4 -47.66 63.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -62.73 -31.77 72.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.4 mt -66.89 -47.0 83.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.469 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -57.73 -24.68 58.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.33 1.28 25.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 75.46 -130.98 11.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER 42.96 94.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -37.94 152.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -144.22 145.74 32.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.82 HG23 ' CB ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -95.39 159.2 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.902 ' O ' HG13 ' A' ' 97' ' ' VAL . 73.1 p -128.43 171.87 11.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.901 HG13 HG22 ' A' ' 97' ' ' VAL . 5.2 mp -127.78 129.46 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.518 ' NH2' HG21 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -125.14 171.78 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' SER . 6.2 t0 -96.09 129.67 43.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.403 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 6.7 tp10 -47.41 -47.53 26.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -60.74 -23.17 64.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.955 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 27' ' ' ASP . 9.5 mm-40 -121.56 28.29 7.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.506 ' OG ' ' CD2' ' A' ' 96' ' ' TYR . 0.1 OUTLIER -114.73 93.7 4.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -149.66 114.99 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.532 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -176.41 -147.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.07 149.34 15.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.7 m -71.3 158.96 35.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.2 -14.67 48.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.556 ' O ' HG23 ' A' ' 55' ' ' VAL . 4.3 m-20 -73.95 -175.81 2.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.767 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -105.21 137.25 35.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' ILE . 12.5 mt -117.22 103.98 10.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 128.61 36.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.567 HG23 ' CD1' ' A' ' 8' ' ' PHE . 7.4 p -118.45 160.57 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.97 -122.18 0.59 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 35.2 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 m -133.79 153.87 51.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.692 HD12 ' CE1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -142.77 173.02 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 100' ' ' PHE . 4.0 tt0 -124.98 144.43 50.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 0.0 110.27 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -74.25 150.92 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.419 HG22 ' C ' ' A' ' 99' ' ' GLU . 4.9 t -127.42 -44.19 1.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.85 169.26 23.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.829 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.8 m -144.55 150.54 37.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.46 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.28 168.25 27.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.495 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -115.78 110.57 19.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.509 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.28 173.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.465 ' HB ' HG23 ' A' ' 65' ' ' THR . 1.3 m -67.83 -153.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.457 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -100.26 -71.52 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.446 ' HA ' HG22 ' A' ' 67' ' ' THR . 5.5 t0 -57.9 -9.52 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.465 HG23 ' HB ' ' A' ' 62' ' ' THR . 1.2 p -70.74 -6.6 38.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.366 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.708 HD21 HG21 ' A' ' 97' ' ' VAL . 2.4 pp -171.69 -40.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.93 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -42.6 153.78 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.369 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -47.68 -23.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.93 ' H ' HG23 ' A' ' 67' ' ' THR . 28.7 tttt -49.38 -29.63 6.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -72.26 -54.48 9.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.82 76.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.504 ' HB3' HD21 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -65.07 -43.36 92.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.622 ' N ' HD11 ' A' ' 81' ' ' LEU . 6.9 tt0 -49.8 -36.66 27.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.1 30.07 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -148.5 -59.45 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 72' ' ' GLU . 22.7 mmt -90.55 177.99 6.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.482 HG23 ' H ' ' A' ' 80' ' ' GLU . 1.3 t -86.13 176.05 8.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.433 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.464 ' N ' ' OG1' ' A' ' 77' ' ' THR . 8.0 mp -66.12 -37.52 85.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -56.77 -51.93 67.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.482 ' H ' HG23 ' A' ' 77' ' ' THR . 2.3 mt-10 -58.78 -47.78 83.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.622 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -56.77 -38.54 72.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -28.91 64.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -52.65 33.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 81' ' ' LEU . 4.6 m -65.21 -44.35 95.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.928 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.6 mm -56.31 -41.25 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.73 -29.75 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.13 -26.51 56.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.64 HG23 ' CG ' ' A' ' 89' ' ' TYR . 0.8 OUTLIER -92.75 -57.74 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.64 ' CG ' HG23 ' A' ' 88' ' ' ILE . 1.9 p90 160.26 162.18 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 91' ' ' GLY . 18.1 Cg_endo -75.05 -90.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.811 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 90' ' ' PRO . . . 32.88 91.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.43 ' C ' ' CG2' ' A' ' 93' ' ' THR . 0.0 OUTLIER -101.21 49.51 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.572 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 20.0 p -150.46 152.42 34.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 110.355 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.2 tt0 -36.21 150.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.572 ' CD2' ' O ' ' A' ' 93' ' ' THR . 10.5 m-85 -159.02 -178.52 7.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.506 ' CD2' ' OG ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -78.63 149.16 32.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.902 HG13 ' O ' ' A' ' 24' ' ' THR . 74.0 t -136.45 130.27 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.829 HG23 ' OG1' ' A' ' 58' ' ' THR . 4.4 mm -123.2 127.27 74.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.82 ' CB ' HG23 ' A' ' 23' ' ' ILE . 12.4 tt0 -95.84 147.18 23.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.692 ' CE1' HD12 ' A' ' 53' ' ' ILE . 3.4 p90 -148.26 165.06 32.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -131.42 154.81 48.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 9.1 t -91.76 105.28 17.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 2.4 t-20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 3.7 m-20 -94.6 -52.18 4.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.812 HD12 ' NH1' ' A' ' 26' ' ' ARG . 14.7 tt -151.1 141.8 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.582 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.9 p -101.36 171.48 7.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.441 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.958 ' CD2' HG23 ' A' ' 41' ' ' VAL . 57.7 m-85 -162.21 123.1 2.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.614 ' CE1' ' OD1' ' A' ' 87' ' ' ASP . 7.5 t80 -52.38 161.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.421 ' HA ' ' CG ' ' A' ' 43' ' ' ARG . 1.8 tt0 -50.34 -48.12 55.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.571 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 6.6 mtp180 -54.29 -49.06 70.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 68' ' ' GLU . 6.8 m-85 -63.06 -39.14 93.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.473 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -60.08 -48.95 79.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -58.3 -45.74 87.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -28.76 70.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 100' ' ' PHE . 19.7 mt -71.5 -46.42 63.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.647 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.52 -24.58 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.37 -5.93 47.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.25 45.99 94.52 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -107.13 100.71 10.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.756 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -38.8 102.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -120.65 150.36 41.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.61 ' H ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -95.86 160.36 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.845 ' O ' HG13 ' A' ' 97' ' ' VAL . 64.7 p -131.28 173.75 10.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.737 HG13 HG22 ' A' ' 97' ' ' VAL . 4.7 mp -129.81 137.64 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.812 ' NH1' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -135.72 171.15 14.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.578 ' HA ' ' CE1' ' A' ' 95' ' ' PHE . 17.4 t0 -97.35 129.71 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -50.18 -45.13 53.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.0 p -57.22 -17.53 11.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.026 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -129.18 16.91 6.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -107.2 95.22 5.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -148.78 114.11 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.589 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -179.14 -146.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 111.052 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.84 151.51 23.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.0 m -73.85 165.35 25.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.69 14.41 72.58 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -104.17 -170.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.774 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.687 HG13 ' CG2' ' A' ' 52' ' ' THR . 1.2 t -100.83 149.85 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.606 HD12 HG22 ' A' ' 55' ' ' VAL . 15.2 mt -135.59 103.41 5.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.75 127.85 27.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.958 HG23 ' CD2' ' A' ' 8' ' ' PHE . 7.2 p -116.83 144.57 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.17 146.09 8.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.421 ' CG ' ' HA ' ' A' ' 10' ' ' GLN . 2.1 ttp180 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 47.1 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.687 ' CG2' HG13 ' A' ' 38' ' ' VAL . 77.3 m -132.62 151.53 51.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.624 HD12 ' CD1' ' A' ' 100' ' ' PHE . 3.8 pt -132.52 173.31 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -117.27 144.34 44.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -71.31 156.01 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.4 HG22 ' C ' ' A' ' 99' ' ' GLU . 14.4 t -127.8 -42.55 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -160.59 169.15 23.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.954 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.2 m -149.17 151.76 34.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.3 168.68 26.57 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.165 . . . . 0.0 110.058 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.509 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -111.99 106.54 15.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.394 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.524 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.08 172.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.502 HG23 ' N ' ' A' ' 94' ' ' GLN . 0.4 OUTLIER -67.89 -152.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.427 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.701 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -103.64 -70.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.46 ' HA ' HG22 ' A' ' 67' ' ' THR . 0.5 OUTLIER -56.69 -9.07 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.467 ' H ' ' C ' ' A' ' 63' ' ' LEU . 1.0 OUTLIER -74.85 -3.81 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.426 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.776 HD21 HG21 ' A' ' 97' ' ' VAL . 2.5 pp -172.4 -40.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.954 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -43.93 154.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -50.78 -22.66 2.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.954 ' H ' HG23 ' A' ' 67' ' ' THR . 70.7 tttt -48.77 -32.67 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -66.87 -54.86 18.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.606 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.99 -36.37 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.572 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -71.52 -45.1 63.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.47 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -49.79 -36.43 26.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.75 29.3 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -149.25 -60.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.572 ' N ' ' O ' ' A' ' 72' ' ' GLU . 28.4 mmt -90.82 177.88 6.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.447 ' O ' HD23 ' A' ' 81' ' ' LEU . 7.6 t -86.97 -174.5 4.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.439 ' N ' ' OG1' ' A' ' 77' ' ' THR . 4.3 mp -70.4 -38.93 74.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.4 -52.46 64.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.405 ' OE1' ' SD ' ' A' ' 76' ' ' MET . 2.8 mt-10 -57.14 -43.88 82.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.544 HD13 ' CG ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -57.97 -39.01 77.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -70.28 -31.0 68.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -66.12 -53.16 41.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 81' ' ' LEU . 8.8 m -61.92 -38.22 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.524 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -61.48 -37.76 78.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.3 -25.81 55.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.614 ' OD1' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -80.1 -30.03 39.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.626 HG23 ' CD2' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -84.3 -57.81 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.626 ' CD2' HG23 ' A' ' 88' ' ' ILE . 8.8 p90 166.39 145.73 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.4 Cg_endo -75.01 130.99 13.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.506 1.793 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 128.24 121.03 2.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.701 ' HA ' HD21 ' A' ' 63' ' ' LEU . 7.5 tm0? -115.79 72.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.249 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 94' ' ' GLN . 14.9 p -147.24 152.36 38.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.502 ' N ' HG23 ' A' ' 62' ' ' THR . 32.7 mt-30 -35.42 144.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.578 ' CE1' ' HA ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -161.36 -178.14 6.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.425 ' HD2' HD11 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -80.2 139.74 36.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.907 ' C ' HD13 ' A' ' 98' ' ' ILE . 71.8 t -125.3 129.49 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.954 HG23 ' OG1' ' A' ' 58' ' ' THR . 2.6 mm -122.6 130.77 74.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.528 ' CB ' HG23 ' A' ' 23' ' ' ILE . 1.6 tt0 -97.15 155.87 16.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' A' ' 53' ' ' ILE . 5.4 p90 -148.67 157.0 43.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.709 ' HE2' HD23 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -146.51 146.82 30.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.4 t -92.18 123.33 35.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 108.311 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.709 HD23 ' HE2' ' A' ' 101' ' ' LYS . 5.3 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.442 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 1.6 t-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.442 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 56.1 m-20 -99.28 -51.42 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.78 HD12 ' NE ' ' A' ' 26' ' ' ARG . 7.8 tt -139.65 143.95 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.598 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -107.71 166.76 10.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 7' ' ' THR . 8.3 m-85 -154.05 114.24 3.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.628 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 6.6 t80 -37.16 156.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.51 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -47.86 -51.59 22.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.579 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 19.9 mtp85 -54.36 -45.09 72.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.94 -39.26 93.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -48.38 81.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.457 ' HA ' HD23 ' A' ' 17' ' ' LEU . 7.2 t70 -60.16 -48.43 81.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -53.88 -36.81 63.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.24 -44.19 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.62 -26.94 64.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.47 7.79 18.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 75.85 -126.25 8.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER 41.66 93.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 0.787 . . . . 0.0 110.311 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.88 147.04 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.1 m -140.35 149.79 43.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.375 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.787 HG23 ' CB ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -96.91 156.45 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.909 ' O ' HG13 ' A' ' 97' ' ' VAL . 31.0 p -125.42 173.21 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.756 HG13 HG22 ' A' ' 97' ' ' VAL . 4.1 mp -132.68 135.56 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.78 ' NE ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -132.62 172.03 13.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.424 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 35.9 t0 -104.13 127.19 51.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -50.07 -40.04 44.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.405 ' OG ' ' CG ' ' A' ' 27' ' ' ASP . 90.6 p -60.95 -18.41 56.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -119.41 17.11 13.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -38.91 131.07 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.623 ' NE2' HD21 ' A' ' 39' ' ' LEU . 30.6 p-80 -114.59 -138.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.544 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 1.8 m-30 -62.2 -168.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.464 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -134.42 -164.74 1.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.3 m -74.25 148.86 41.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.432 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.31 -15.98 57.08 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -85.1 -169.71 2.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.53 HG13 ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -109.25 145.1 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.623 HD21 ' NE2' ' A' ' 32' ' ' HIS . 20.3 mt -126.77 109.29 11.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.94 114.41 8.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.4 p -86.75 147.03 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -156.26 -134.44 1.81 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.585 0.815 . . . . 0.0 110.33 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.53 ' CG2' HG13 ' A' ' 38' ' ' VAL . 25.2 m -129.79 149.13 51.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.955 HD11 ' HB2' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -144.0 169.8 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.751 ' N ' HD12 ' A' ' 53' ' ' ILE . 3.6 tt0 -112.13 137.23 50.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -58.95 159.98 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.241 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.473 HG22 ' C ' ' A' ' 99' ' ' GLU . 8.9 t -123.99 -40.4 2.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.82 169.37 18.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.934 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.6 m -146.14 150.7 36.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.14 168.35 27.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.962 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.526 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -113.54 106.37 14.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.54 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -158.52 173.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.281 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.747 ' OG1' HG21 ' A' ' 65' ' ' THR . 0.2 OUTLIER -68.87 -153.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.515 ' O ' ' HB ' ' A' ' 67' ' ' THR . 0.6 OUTLIER -102.5 -67.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.451 ' OD1' ' CG ' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -64.68 -7.17 9.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.381 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.747 HG21 ' OG1' ' A' ' 62' ' ' THR . 0.7 OUTLIER -73.46 -6.83 48.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.76 HD12 ' N ' ' A' ' 67' ' ' THR . 4.1 pp -167.76 -46.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.928 HG23 ' H ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -43.38 150.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.4 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.69 -24.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.928 ' H ' HG23 ' A' ' 67' ' ' THR . 0.1 OUTLIER -46.6 -30.65 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 2.4 t-80 -63.11 -52.15 63.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.639 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.57 -43.48 84.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 76' ' ' MET . 6.6 tt0 -63.74 -43.42 96.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.506 ' N ' HD11 ' A' ' 81' ' ' LEU . 1.2 tt0 -53.77 -37.08 63.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.33 27.19 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -144.07 -60.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.546 ' N ' ' O ' ' A' ' 72' ' ' GLU . 14.0 mmt -90.66 177.32 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.447 HG23 ' HB ' ' A' ' 79' ' ' THR . 4.2 t -92.19 176.94 6.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.403 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.408 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.2 OUTLIER -61.64 -35.89 79.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.447 ' HB ' HG23 ' A' ' 77' ' ' THR . 1.2 m -56.56 -49.83 73.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.51 -49.64 68.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.506 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -53.41 -38.14 63.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -70.48 -37.68 74.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -52.79 63.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.511 HG12 ' CE2' ' A' ' 9' ' ' PHE . 17.2 m -64.8 -37.32 79.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.46 ' O ' HG22 ' A' ' 88' ' ' ILE . 1.2 mm -58.49 -36.84 61.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.7 -33.38 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.628 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -71.29 -31.98 68.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.645 HG23 ' CG ' ' A' ' 89' ' ' TYR . 0.5 OUTLIER -83.47 -57.38 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.645 ' CG ' HG23 ' A' ' 88' ' ' ILE . 8.3 p90 163.43 145.73 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 142.25 27.87 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 117.94 117.59 2.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.474 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -115.48 68.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.27 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.0 p -142.14 152.54 43.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.415 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.72 ' N ' HG23 ' A' ' 62' ' ' THR . 2.8 mt-30 -41.87 143.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.54 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -161.96 -177.62 5.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -73.62 142.49 46.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.964 ' C ' HD13 ' A' ' 98' ' ' ILE . 66.9 t -130.96 128.36 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.964 HD13 ' C ' ' A' ' 97' ' ' VAL . 1.9 mm -121.25 128.42 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.787 ' CB ' HG23 ' A' ' 23' ' ' ILE . 9.3 tt0 -95.28 139.14 32.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.955 ' HB2' HD11 ' A' ' 53' ' ' ILE . 24.4 p90 -138.13 152.63 48.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -159.24 155.7 27.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.6 t -91.03 128.04 36.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.82 -37.5 3.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.751 HD12 ' HD3' ' A' ' 26' ' ' ARG . 10.9 tt -162.78 139.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.4 p -106.97 168.26 9.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.405 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.562 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 65.2 m-85 -154.46 116.17 4.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.68 ' HE2' HG12 ' A' ' 84' ' ' VAL . 7.6 t80 -42.74 161.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -51.8 -54.05 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.549 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -49.86 -50.42 45.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -29.9 70.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -48.19 70.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.952 ' HA ' HD23 ' A' ' 17' ' ' LEU . 12.0 t70 -62.2 -45.9 91.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -54.61 -43.33 72.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.0 mt -68.59 -41.46 82.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.952 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -59.91 -24.96 64.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.91 -3.91 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.99 76.01 0.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 21' ' ' LYS . 34.9 mtt180 -141.76 94.29 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 0.783 . . . . 0.0 110.328 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -38.68 101.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -119.18 159.32 24.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.858 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -96.79 153.66 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.898 ' O ' HG13 ' A' ' 97' ' ' VAL . 10.9 p -119.58 173.64 6.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.38 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.818 HG13 HG22 ' A' ' 97' ' ' VAL . 4.7 mp -132.28 138.78 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.751 ' HD3' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -139.66 172.23 13.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 31' ' ' SER . 12.9 t0 -99.78 130.1 45.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.416 ' OE2' ' CA ' ' A' ' 28' ' ' GLU . 2.7 tp10 -48.47 -44.6 35.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -56.08 -20.54 17.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.992 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -130.2 20.3 5.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -107.08 102.48 11.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -156.18 114.79 3.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -179.53 -160.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -149.49 157.98 43.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.7 m -75.59 157.11 34.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.73 -14.11 44.03 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.582 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 1.3 m-20 -75.86 -173.94 2.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.766 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -104.56 147.55 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' ' 53' ' ' ILE . 12.0 mt -126.28 116.06 20.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 115.91 9.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 51' ' ' CYS . 1.5 m -105.6 132.8 51.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.66 -158.48 8.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.429 ' O ' HG22 ' A' ' 41' ' ' VAL . 86.7 m . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.766 HG22 HG13 ' A' ' 38' ' ' VAL . 1.3 m -119.03 141.73 48.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.389 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.794 HD12 ' N ' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -132.75 171.96 17.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.794 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.3 tt0 -118.3 145.94 44.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -74.2 158.03 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.451 HG22 ' C ' ' A' ' 99' ' ' GLU . 5.5 t -129.52 -41.65 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -159.81 169.51 23.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.969 ' OG1' HG23 ' A' ' 98' ' ' ILE . 2.0 m -144.15 151.03 38.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.14 169.98 23.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.95 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.498 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -115.99 107.77 15.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.442 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.508 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.13 170.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.531 HG23 ' N ' ' A' ' 94' ' ' GLN . 1.4 m -70.29 -154.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.933 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -99.36 -73.44 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.525 ' HA ' HG22 ' A' ' 67' ' ' THR . 4.8 t0 -54.35 -12.34 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.472 ' OG1' ' C ' ' A' ' 62' ' ' THR . 1.3 p -68.98 -5.79 23.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.38 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.621 ' HB2' HD13 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -173.73 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.97 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.3 t -42.11 157.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.438 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -22.46 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.97 ' H ' HG23 ' A' ' 67' ' ' THR . 46.7 tttm -45.62 -44.62 13.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -63.28 -46.46 86.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.612 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.09 -48.62 70.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.636 ' CB ' HD21 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -66.01 -43.48 87.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -34.38 9.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.13 28.12 4.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.323 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.6 m120 -152.98 -62.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.577 ' N ' ' O ' ' A' ' 72' ' ' GLU . 15.4 mmt -90.49 178.58 6.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 8.5 t -88.62 -176.24 5.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.413 ' N ' ' OG1' ' A' ' 77' ' ' THR . 6.9 mp -71.09 -38.46 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -55.94 -54.35 45.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.54 -45.17 73.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.636 HD21 ' CB ' ' A' ' 72' ' ' GLU . 7.9 mt -59.59 -33.37 71.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -33.53 70.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.15 -52.82 30.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.68 HG12 ' HE2' ' A' ' 9' ' ' PHE . 4.4 m -63.88 -43.22 97.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.915 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.1 mm -57.77 -40.26 74.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.58 -25.16 59.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.609 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -81.11 -27.3 35.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.63 HG23 ' CD2' ' A' ' 89' ' ' TYR . 1.2 tt -89.08 -57.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.63 ' CD2' HG23 ' A' ' 88' ' ' ILE . 7.9 p90 166.88 147.88 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.3 Cg_endo -75.05 -172.46 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.25 117.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.933 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -115.41 55.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.325 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.435 ' C ' HG23 ' A' ' 62' ' ' THR . 10.0 p -128.01 152.92 47.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.414 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.531 ' N ' HG23 ' A' ' 62' ' ' THR . 34.6 mt-30 -36.11 147.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.508 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -160.62 -179.23 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.09 131.31 35.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.898 HG13 ' O ' ' A' ' 24' ' ' THR . 73.2 t -116.98 129.85 72.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.969 HG23 ' OG1' ' A' ' 58' ' ' THR . 2.8 mm -121.09 126.88 75.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.858 ' CG ' HG23 ' A' ' 23' ' ' ILE . 12.5 tt0 -97.27 147.39 24.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.643 ' HB2' HD13 ' A' ' 53' ' ' ILE . 4.4 p90 -148.65 166.07 29.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -141.36 149.65 41.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.11 -173.74 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 108.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.77 -46.78 6.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.608 HG21 HD22 ' A' ' 39' ' ' LEU . 2.8 tt -156.83 139.13 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.615 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 2.0 p -103.09 169.86 8.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.627 ' CE1' HG22 ' A' ' 41' ' ' VAL . 15.5 m-85 -151.74 130.84 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.62 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 9.6 t80 -46.07 164.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -54.06 -63.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.575 1.172 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.528 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -49.22 -37.38 22.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.686 ' CE1' HG21 ' A' ' 22' ' ' THR . 0.8 OUTLIER -62.93 -42.23 99.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.612 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -63.87 -45.18 90.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.639 ' HA ' HD23 ' A' ' 17' ' ' LEU . 10.9 t70 -57.18 -46.32 82.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.36 -45.75 87.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 13' ' ' GLN . 26.0 mt -58.71 -43.01 86.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.639 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.16 -25.35 61.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.98 8.29 18.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.7 65.59 3.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -127.54 96.73 4.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.304 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.471 ' CG ' ' HB2' ' A' ' 101' ' ' LYS . 0.7 OUTLIER -37.73 109.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.686 HG21 ' CE1' ' A' ' 12' ' ' PHE . 89.9 m -115.65 141.85 47.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.753 HG23 ' CB ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -95.15 163.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.845 ' O ' HG13 ' A' ' 97' ' ' VAL . 52.2 p -136.13 168.74 18.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.451 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.878 HG21 ' CE1' ' A' ' 95' ' ' PHE . 4.6 mp -129.08 138.02 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.764 HH21 ' CE1' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -133.03 171.84 13.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -103.62 127.77 51.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -52.45 -40.06 61.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -61.62 -14.06 27.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 31' ' ' SER . 8.6 mt-10 -121.76 14.24 10.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -36.22 119.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.764 ' CE1' HH21 ' A' ' 26' ' ' ARG . 5.8 p80 -112.02 -131.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.62 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.517 ' CE1' ' OD1' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -51.81 -170.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.652 ' O ' HG21 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -145.19 -165.08 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.6 m -77.39 148.01 35.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.89 -14.26 53.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.441 1.088 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.517 ' OD1' ' CE1' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -85.5 -168.66 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.605 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -107.14 148.22 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.608 HD22 HG21 ' A' ' 6' ' ' ILE . 20.8 mt -131.34 108.36 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.81 120.22 19.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.244 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.627 HG22 ' CE1' ' A' ' 8' ' ' PHE . 40.3 t -97.43 137.8 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.406 ' O ' ' NE2' ' A' ' 13' ' ' GLN . . . -137.03 -134.12 3.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.311 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.605 HG22 HG13 ' A' ' 38' ' ' VAL . 2.4 m -122.22 149.92 43.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.966 HD11 ' HB2' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -144.41 171.18 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.705 ' N ' HD12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -113.79 139.46 49.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.652 HG21 ' O ' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -60.15 157.07 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.421 HG21 ' CD ' ' A' ' 99' ' ' GLU . 10.6 t -121.22 -40.27 2.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.413 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.12 169.14 25.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.962 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.6 m -157.22 139.47 14.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.361 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.83 165.81 33.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.545 HG22 ' CD1' ' A' ' 96' ' ' TYR . 1.0 OUTLIER -99.25 116.02 30.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 110.388 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.525 HG22 ' C ' ' A' ' 60' ' ' THR . 0.0 OUTLIER -158.3 175.62 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.536 HG23 ' HG3' ' A' ' 94' ' ' GLN . 1.1 m -71.94 -153.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.845 HD13 HD11 ' A' ' 85' ' ' ILE . 1.2 pp -100.64 -69.88 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.547 ' N ' HD12 ' A' ' 63' ' ' LEU . 2.8 t0 -59.96 -8.16 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.462 HG23 ' HB ' ' A' ' 62' ' ' THR . 1.2 p -72.79 -7.46 50.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.656 HD13 ' HB ' ' A' ' 23' ' ' ILE . 3.8 pp -170.87 -41.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.947 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -41.87 153.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.0 -23.59 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.947 ' H ' HG23 ' A' ' 67' ' ' THR . 56.2 tttt -49.78 -30.28 9.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -71.31 -55.47 7.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.63 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.84 -36.39 69.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.674 ' OE2' HG11 ' A' ' 84' ' ' VAL . 2.7 tt0 -72.93 -44.48 61.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.483 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -49.77 -35.48 22.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.69 28.5 4.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -147.72 -62.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 72' ' ' GLU . 38.0 mmt -90.61 178.45 6.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.432 ' O ' HD23 ' A' ' 81' ' ' LEU . 7.6 t -86.84 -174.59 5.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.432 ' N ' ' OG1' ' A' ' 77' ' ' THR . 1.5 mp -71.4 -38.43 71.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 m -56.36 -57.33 12.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.1 -42.64 69.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.483 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -56.44 -41.06 75.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -68.11 -33.8 75.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -63.51 -53.78 46.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.247 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.674 HG11 ' OE2' ' A' ' 72' ' ' GLU . 5.8 m -64.75 -41.49 92.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.845 HD11 HD13 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -60.14 -36.4 67.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.37 -24.67 50.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.62 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -82.51 -28.04 31.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.671 HG23 ' CD2' ' A' ' 89' ' ' TYR . 1.1 tt -85.53 -57.81 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.671 ' CD2' HG23 ' A' ' 88' ' ' ILE . 14.3 p90 166.5 139.09 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.2 Cg_endo -75.07 175.66 10.95 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.47 124.42 2.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.47 70.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.658 ' O ' ' CE2' ' A' ' 95' ' ' PHE . 13.7 p -131.43 152.84 50.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.39 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.536 ' HG3' HG23 ' A' ' 62' ' ' THR . 5.2 mt-30 -69.0 146.92 52.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.878 ' CE1' HG21 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -163.0 -177.93 5.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.545 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.4 OUTLIER -65.0 151.46 45.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 1.015 ' C ' HD13 ' A' ' 98' ' ' ILE . 65.7 t -138.14 127.05 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.015 HD13 ' C ' ' A' ' 97' ' ' VAL . 1.3 mm -116.68 125.57 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.753 ' CB ' HG23 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -96.47 136.7 36.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.966 ' HB2' HD11 ' A' ' 53' ' ' ILE . 33.2 p90 -129.9 152.08 49.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.471 ' HB2' ' CG ' ' A' ' 21' ' ' LYS . 1.3 pttp -157.08 154.27 29.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.363 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.8 t -90.89 125.52 35.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 108.304 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.75 -40.38 10.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.842 HD12 ' NH1' ' A' ' 26' ' ' ARG . 6.4 tt -164.05 149.68 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.618 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.1 p -114.56 161.1 18.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 7' ' ' THR . 1.9 m-85 -151.53 130.7 12.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.848 ' CZ ' ' CD2' ' A' ' 12' ' ' PHE . 3.6 p90 -50.47 178.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -64.45 -44.65 90.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.603 ' HD2' HG12 ' A' ' 84' ' ' VAL . 0.9 OUTLIER -50.87 -29.25 11.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.848 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -78.59 -35.29 45.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.731 ' HA ' HD23 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -71.19 -54.34 11.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -51.27 -52.05 48.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.6 mt -54.77 -45.19 73.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.0 -25.88 61.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.54 15.18 8.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 62.77 -126.1 36.42 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 44.09 94.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 0.728 . . . . 0.0 110.276 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -38.14 147.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.3 m -138.98 146.71 41.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.383 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.591 HG22 ' CG1' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -95.4 162.23 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.831 ' O ' HG13 ' A' ' 97' ' ' VAL . 67.0 p -145.14 171.08 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.738 HG13 HG22 ' A' ' 97' ' ' VAL . 4.1 mp -124.75 140.89 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.842 ' NH1' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -136.3 172.36 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 110.268 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -105.74 130.08 53.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.251 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -51.16 -39.43 56.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 p -64.72 -20.89 66.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 31' ' ' SER . 32.8 mt-10 -116.24 16.96 15.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.84 110.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.592 ' CE1' ' CD2' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -78.7 -136.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.619 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -70.94 -171.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.674 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -119.73 -171.37 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.4 m -75.28 147.61 40.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.5 -14.06 48.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -87.69 -170.08 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.5 HG13 HG22 ' A' ' 52' ' ' THR . 1.0 OUTLIER -108.03 147.45 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.592 ' CD2' ' CE1' ' A' ' 32' ' ' HIS . 24.5 mt -127.33 105.86 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.677 ' HG3' HG23 ' A' ' 52' ' ' THR . 0.1 OUTLIER -67.53 140.24 56.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -136.16 173.66 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -177.54 -114.75 0.41 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.272 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.677 HG23 ' HG3' ' A' ' 40' ' ' ARG . 11.2 m -131.24 154.25 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.662 HD11 ' CG ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -142.6 171.89 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -117.94 154.1 32.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.233 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.674 HG21 ' O ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -80.86 159.1 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.409 HG22 ' C ' ' A' ' 99' ' ' GLU . 14.7 t -133.22 -44.04 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.35 168.35 24.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.81 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.4 m -156.39 142.94 18.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.408 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.82 166.31 33.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.515 HG22 ' CD1' ' A' ' 96' ' ' TYR . 0.8 OUTLIER -104.13 111.39 23.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.367 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.512 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -157.14 171.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.468 ' C ' ' OG1' ' A' ' 65' ' ' THR . 1.4 m -69.58 -153.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.715 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -99.46 -72.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.236 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.455 ' HA ' HG22 ' A' ' 67' ' ' THR . 1.9 t0 -56.82 -9.59 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.468 ' OG1' ' C ' ' A' ' 62' ' ' THR . 1.3 p -72.13 -4.76 30.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.723 HD21 HG21 ' A' ' 97' ' ' VAL . 3.3 pp -173.94 -39.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.921 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -43.4 155.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -23.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.921 ' H ' HG23 ' A' ' 67' ' ' THR . 29.1 tttt -46.97 -31.33 3.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -75.4 -51.78 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.565 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.74 -53.27 58.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.658 ' HB3' HD21 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -63.46 -42.43 98.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.564 ' CA ' HD11 ' A' ' 81' ' ' LEU . 8.3 tt0 -47.97 -35.95 11.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.09 30.26 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 72' ' ' GLU . 17.0 t-20 -151.58 -62.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.549 ' N ' ' O ' ' A' ' 72' ' ' GLU . 39.0 mmt -89.71 -179.82 5.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 t -89.51 -178.63 5.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.437 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.25 -35.15 71.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.92 -52.68 64.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.82 -47.33 82.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.658 HD21 ' HB3' ' A' ' 72' ' ' GLU . 9.7 mt -60.17 -31.88 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -71.02 -33.66 70.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -53.29 39.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.603 HG12 ' HD2' ' A' ' 11' ' ' ARG . 4.4 m -62.84 -42.32 95.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.802 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.0 OUTLIER -60.82 -36.92 74.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.76 -21.65 51.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.44 -27.74 25.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.813 HD12 ' HE2' ' A' ' 9' ' ' PHE . 1.9 tt -84.55 -57.75 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.653 ' CD2' HG23 ' A' ' 88' ' ' ILE . 11.8 p90 168.42 141.3 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.5 Cg_endo -74.97 152.83 41.38 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.03 122.16 3.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.715 ' HA ' HD21 ' A' ' 63' ' ' LEU . 5.0 tm0? -111.73 98.33 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.461 ' CG2' ' C ' ' A' ' 92' ' ' GLN . 17.0 p -151.84 151.87 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.426 ' N ' HG23 ' A' ' 62' ' ' THR . 11.0 mt-30 -41.07 141.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.512 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -161.73 -178.52 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.515 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.1 OUTLIER -77.24 140.77 40.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 111.019 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.831 HG13 ' O ' ' A' ' 24' ' ' THR . 79.7 t -125.56 132.29 71.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.81 HG23 ' OG1' ' A' ' 58' ' ' THR . 4.3 mm -125.52 121.71 60.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.532 ' CB ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -97.65 145.84 25.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.337 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.662 ' CG ' HD11 ' A' ' 53' ' ' ILE . 2.0 p90 -148.47 165.23 31.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.61 ' HE3' HD23 ' A' ' 103' ' ' LEU . 2.2 pttt -135.81 155.88 49.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.8 t -91.24 124.41 35.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 108.253 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.61 HD23 ' HE3' ' A' ' 101' ' ' LYS . 2.3 pp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.462 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 1.3 m-20 -90.06 -45.53 9.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.75 HG21 ' HG ' ' A' ' 39' ' ' LEU . 2.8 tt -154.4 141.67 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.53 156.51 17.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 1.068 ' CE1' HG12 ' A' ' 41' ' ' VAL . 83.3 m-85 -144.27 113.85 7.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.606 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 8.1 t80 -39.28 160.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -49.33 -54.72 15.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.54 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 35.4 mtp85 -51.28 -41.53 60.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 68' ' ' GLU . 11.2 m-85 -71.73 -32.06 67.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -46.03 75.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.91 ' HA ' HD23 ' A' ' 17' ' ' LEU . 5.3 t0 -65.06 -50.99 64.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.14 -48.18 61.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' ' 12' ' ' PHE . 45.2 mt -62.12 -44.16 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.91 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.99 -28.62 66.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.77 11.9 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 80.63 -126.01 7.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER 42.77 93.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.471 ' CD ' ' OE2' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -43.0 158.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.5 m -152.01 152.58 32.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.927 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -102.11 148.07 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.909 ' O ' HG13 ' A' ' 97' ' ' VAL . 15.1 p -115.1 174.59 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.931 HG13 HG22 ' A' ' 97' ' ' VAL . 4.6 mp -135.93 122.79 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.792 HH21 ' H ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -122.36 171.87 8.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.577 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 10.7 t0 -98.04 128.52 44.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.41 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 8.4 tp10 -54.34 -41.93 69.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -63.04 -12.99 30.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' SER . 4.6 mm-40 -120.06 8.66 11.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.245 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -36.57 107.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.416 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -108.11 -132.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.568 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 5' ' ' ASP . 39.6 m-85 -41.54 164.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.539 ' O ' HG21 ' A' ' 55' ' ' VAL . 11.3 mttt -131.85 -167.83 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m -68.22 141.11 56.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.68 -13.81 66.5 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.635 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -88.4 -171.25 3.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 0.793 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.678 HG13 HG22 ' A' ' 52' ' ' THR . 1.0 OUTLIER -106.54 149.72 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.75 ' HG ' HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -123.38 103.68 8.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.429 ' HG3' HG23 ' A' ' 52' ' ' THR . 2.7 ttm180 -71.67 119.92 16.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 1.068 HG12 ' CE1' ' A' ' 8' ' ' PHE . 28.7 m -106.0 135.06 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.94 -131.9 3.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.3 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.678 HG22 HG13 ' A' ' 38' ' ' VAL . 1.7 m -121.33 143.8 48.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.648 ' CD1' ' CG ' ' A' ' 100' ' ' PHE . 4.8 pt -133.95 173.21 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -118.64 149.75 40.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -72.38 158.07 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.441 ' CB ' ' HG3' ' A' ' 101' ' ' LYS . 5.8 t -127.09 -42.47 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -156.12 169.82 23.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.755 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.9 m -147.42 150.89 35.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.61 169.97 23.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.509 HG22 ' CD1' ' A' ' 96' ' ' TYR . 0.4 OUTLIER -113.7 103.76 11.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.371 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 60' ' ' THR . 0.2 OUTLIER -156.25 172.5 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.75 HG23 ' N ' ' A' ' 94' ' ' GLN . 0.2 OUTLIER -71.58 -153.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.793 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.6 OUTLIER -101.14 -69.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.457 ' HA ' HG22 ' A' ' 67' ' ' THR . 5.4 t0 -57.53 -9.76 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.447 ' H ' ' C ' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -75.29 -1.38 23.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.446 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.722 HD21 HG21 ' A' ' 97' ' ' VAL . 2.0 pp -174.27 -41.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.915 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -42.71 153.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.436 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 3.4 mt-10 -48.66 -23.57 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.927 ' HD2' HD11 ' A' ' 85' ' ' ILE . 18.8 tttm -49.14 -29.97 6.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -70.23 -54.76 11.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.563 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.19 74.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.85 ' OE1' HG11 ' A' ' 84' ' ' VAL . 2.8 tt0 -71.11 -43.72 67.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.488 ' N ' HD11 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -50.66 -38.41 46.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -96.94 27.55 3.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -145.15 -62.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.514 ' N ' ' O ' ' A' ' 72' ' ' GLU . 14.4 mmt -91.0 177.07 6.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 1.5 t -86.36 176.81 7.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.1 OUTLIER -64.03 -38.93 92.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.39 -57.17 13.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.449 ' H ' HG23 ' A' ' 77' ' ' THR . 1.7 mt-10 -53.68 -44.8 70.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.34 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.488 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -55.51 -39.87 71.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -69.61 -32.14 70.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -53.05 46.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.85 HG11 ' OE1' ' A' ' 72' ' ' GLU . 4.5 m -66.3 -41.04 88.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.927 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.8 mm -60.82 -38.62 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.99 -23.95 52.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.606 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -82.88 -27.16 30.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.6 HG23 ' CD2' ' A' ' 89' ' ' TYR . 1.9 tt -88.18 -57.37 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.6 ' CD2' HG23 ' A' ' 88' ' ' ILE . 8.6 p90 168.62 146.57 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -169.7 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.25 112.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.793 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -115.38 81.69 1.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.468 ' CG2' ' C ' ' A' ' 92' ' ' GLN . 18.6 p -152.06 152.75 32.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.438 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.75 ' N ' HG23 ' A' ' 62' ' ' THR . 4.8 mt-30 -34.93 144.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.577 ' CD1' ' HA ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -161.5 -178.69 6.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.509 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -85.67 121.75 28.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.931 HG22 HG13 ' A' ' 25' ' ' ILE . 73.0 t -101.42 137.27 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.902 HD13 ' O ' ' A' ' 97' ' ' VAL . 4.5 mm -128.35 121.73 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.927 ' CG ' HG23 ' A' ' 23' ' ' ILE . 15.2 tt0 -95.47 154.82 17.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.648 ' CG ' ' CD1' ' A' ' 53' ' ' ILE . 4.8 p90 -145.85 160.87 41.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.441 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 20.0 mttt -129.11 147.59 50.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.6 t -92.15 124.44 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 108.295 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.295 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.456 ' HB3' HD23 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -73.77 -50.07 22.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.71 HD12 ' NE ' ' A' ' 26' ' ' ARG . 13.4 tt -164.03 143.4 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.613 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.7 p -112.36 169.77 8.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.385 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.726 ' CE1' HG12 ' A' ' 41' ' ' VAL . 5.3 m-85 -157.62 149.3 21.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.625 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 10.7 t80 -76.54 160.21 29.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.427 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.8 OUTLIER -48.41 -47.55 37.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.584 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 27.5 mtp85 -61.86 -45.44 93.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.449 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.9 OUTLIER -61.21 -36.22 79.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.401 ' CD ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.29 -46.77 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.11 -45.21 83.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 46.0 t0 -60.07 -43.66 95.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.449 HD11 ' CD1' ' A' ' 12' ' ' PHE . 58.4 mt -61.4 -42.97 95.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.766 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.42 -24.92 61.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -76.81 -1.21 27.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.92 69.81 1.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -137.3 94.84 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -37.45 102.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 m -110.36 155.48 22.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.617 HG22 ' CG1' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -95.51 162.62 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.941 ' O ' HG13 ' A' ' 97' ' ' VAL . 21.7 p -141.1 170.78 15.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.777 HG13 HG22 ' A' ' 97' ' ' VAL . 4.1 mp -128.24 136.87 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.71 ' NE ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -132.25 171.93 13.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 31' ' ' SER . 23.6 t0 -95.8 127.93 42.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -49.41 -39.84 34.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.5 p -61.5 -16.86 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ASP . 4.8 mt-10 -132.84 17.94 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -106.8 89.87 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -147.27 113.94 6.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.588 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.18 -158.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -145.54 157.58 43.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.6 m -76.8 160.61 29.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.01 -14.53 43.16 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 55' ' ' VAL . 3.2 m-20 -74.9 -173.64 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.61 HG13 ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -105.86 148.71 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.581 ' O ' HG13 ' A' ' 41' ' ' VAL . 13.5 mt -127.26 106.36 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.4 129.6 41.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.726 HG12 ' CE1' ' A' ' 8' ' ' PHE . 1.8 m -132.17 -178.14 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' ' CD ' ' A' ' 13' ' ' GLN . . . 169.26 -80.32 0.1 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 110.309 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.7 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.61 ' CG2' HG13 ' A' ' 38' ' ' VAL . 20.6 m -140.98 146.32 37.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.843 HD12 ' N ' ' A' ' 54' ' ' GLU . 0.7 OUTLIER -133.01 171.7 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.843 ' N ' HD12 ' A' ' 53' ' ' ILE . 3.6 mt-10 -119.74 139.12 52.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -69.53 163.39 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.493 ' CG2' ' OE1' ' A' ' 99' ' ' GLU . 6.6 t -139.23 -44.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.389 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.21 169.57 19.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.787 HG23 HD13 ' A' ' 98' ' ' ILE . 1.7 m -153.83 146.37 24.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.399 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.94 168.84 26.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.537 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -113.02 105.56 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.385 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.539 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -155.67 173.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.613 HG23 ' C ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -70.68 -157.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.659 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -99.77 -71.3 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -55.14 -8.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.511 ' H ' ' C ' ' A' ' 63' ' ' LEU . 4.1 p -79.81 -1.19 37.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.621 HD21 HG21 ' A' ' 97' ' ' VAL . 3.7 pp -177.17 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.885 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.1 t -41.4 152.04 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.416 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.85 -23.45 7.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.885 ' H ' HG23 ' A' ' 67' ' ' THR . 18.4 tttt -49.22 -36.84 21.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -66.44 -50.26 63.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.612 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.59 -45.86 73.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.701 ' HB3' HD21 ' A' ' 81' ' ' LEU . 0.8 OUTLIER -66.19 -43.3 87.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.597 ' CA ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -48.89 -36.54 17.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.639 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 6.9 tt0 -90.36 20.72 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' GLU . 17.1 t-20 -143.72 -61.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.56 ' N ' ' O ' ' A' ' 72' ' ' GLU . 35.6 mmt -89.86 178.28 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.497 HG23 ' H ' ' A' ' 80' ' ' GLU . 1.4 t -87.0 178.88 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.37 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.494 ' N ' ' OG1' ' A' ' 77' ' ' THR . 2.3 mp -69.08 -37.75 78.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.0 m -56.51 -57.37 12.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.497 ' H ' HG23 ' A' ' 77' ' ' THR . 0.7 OUTLIER -53.87 -44.99 70.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.711 HD22 ' CG ' ' A' ' 69' ' ' LYS . 7.8 mt -59.5 -32.84 70.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.12 -33.6 67.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -67.94 -52.76 32.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.515 HG12 ' HE2' ' A' ' 9' ' ' PHE . 4.5 m -64.53 -44.23 96.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.668 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.2 mm -57.1 -41.35 77.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.88 -26.67 62.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.625 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -79.91 -27.78 39.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.665 HG23 ' CG ' ' A' ' 89' ' ' TYR . 0.2 OUTLIER -87.63 -57.53 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.665 ' CG ' HG23 ' A' ' 88' ' ' ILE . 7.5 p90 163.97 144.9 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.2 Cg_endo -75.01 -162.88 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.99 112.13 0.22 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.614 ' HA ' HD21 ' A' ' 63' ' ' LEU . 8.0 tm0? -115.43 64.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.613 ' C ' HG23 ' A' ' 62' ' ' THR . 23.0 p -147.93 152.39 37.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.43 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.498 ' N ' HG23 ' A' ' 62' ' ' THR . 15.8 mt-30 -37.69 140.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.539 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.6 m-85 -160.69 -177.62 6.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.471 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -75.73 144.52 41.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.941 HG13 ' O ' ' A' ' 24' ' ' THR . 54.3 t -132.04 137.69 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.787 HD13 HG23 ' A' ' 58' ' ' THR . 5.4 mm -129.55 119.14 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.556 ' CB ' HG23 ' A' ' 23' ' ' ILE . 2.6 tm-20 -96.14 143.47 27.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.706 ' CD2' HD13 ' A' ' 53' ' ' ILE . 26.8 p90 -148.07 172.29 14.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 21' ' ' LYS . 11.1 pttt -145.47 152.95 40.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -91.65 -174.4 3.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.327 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.251 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 17.0 t-20 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 4' ' ' ASN . 2.4 m-20 -87.13 -41.5 13.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.93 HD12 ' NE ' ' A' ' 26' ' ' ARG . 5.8 tt -163.43 141.73 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.531 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 2.0 p -101.65 168.97 9.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.4 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.627 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 24.6 m-85 -158.6 131.99 7.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.092 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.83 ' CZ ' ' CD2' ' A' ' 12' ' ' PHE . 4.6 p90 -50.92 -175.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -69.94 -47.07 63.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.557 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 7.1 mtp180 -50.29 -24.99 3.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.83 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -80.22 -34.99 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -42.67 87.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.612 ' HA ' HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -71.74 -52.35 18.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.532 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -55.03 -47.71 74.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 12' ' ' PHE . 58.4 mt -57.55 -44.99 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.612 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.46 -24.67 60.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -77.38 -0.68 26.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 53.81 52.41 42.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' LYS . 93.0 mtt180 -115.0 99.16 7.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 0.76 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' ARG . 1.1 pttm -37.63 100.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ARG . 42.5 m -111.4 150.52 29.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.744 HD13 ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -94.96 161.64 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.92 ' O ' HG13 ' A' ' 97' ' ' VAL . 31.4 p -131.07 171.89 12.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.824 HG13 HG22 ' A' ' 97' ' ' VAL . 4.5 mp -130.45 130.99 65.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.93 ' NE ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -126.96 172.17 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -108.07 128.29 54.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -50.19 -43.4 52.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -14.15 41.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.5 mm-40 -119.28 13.18 12.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.422 ' O ' ' OG ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -38.43 98.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 0.0 110.009 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.487 ' CE1' ' HE ' ' A' ' 26' ' ' ARG . 0.6 OUTLIER -88.14 -134.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.425 ' N ' ' CG ' ' A' ' 32' ' ' HIS . 9.7 m-85 -51.52 -173.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.515 ' O ' HG21 ' A' ' 55' ' ' VAL . 3.8 mmtm -137.52 -170.76 2.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.1 m -72.35 162.35 29.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.28 18.03 64.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.55 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -123.79 -169.0 1.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.574 HG13 HG22 ' A' ' 52' ' ' THR . 1.2 t -106.39 147.86 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.582 HD12 HG22 ' A' ' 55' ' ' VAL . 26.0 mt -130.09 103.9 7.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.488 ' HG3' HG23 ' A' ' 52' ' ' THR . 0.0 OUTLIER -63.65 138.18 58.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.476 ' CG1' HG12 ' A' ' 53' ' ' ILE . 1.4 m -131.51 168.85 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.01 -105.39 0.19 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.574 HG22 HG13 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -125.74 143.42 51.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.779 HD12 ' HB2' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -129.3 171.78 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -125.17 142.56 51.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.604 ' CG1' HG22 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -75.18 159.81 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.7 t -132.74 -44.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.395 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.73 168.63 21.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.838 HG23 ' CD1' ' A' ' 98' ' ' ILE . 4.1 m -146.46 144.98 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.79 166.58 32.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.516 ' C ' HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -106.69 115.61 30.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.529 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -158.09 175.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.774 HG22 ' H ' ' A' ' 63' ' ' LEU . 7.7 m -79.27 -153.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.402 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.784 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.6 OUTLIER -98.99 -70.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.47 ' HA ' HG22 ' A' ' 67' ' ' THR . 9.5 t0 -57.19 -9.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.466 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.3 p -74.18 -2.87 26.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 110.393 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.744 ' HB2' HD13 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -173.35 -41.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.927 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -43.05 153.3 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.3 -23.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.966 ' HD2' HD11 ' A' ' 85' ' ' ILE . 19.4 tttm -49.14 -31.06 7.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -68.11 -54.64 16.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.589 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.42 -37.68 73.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.639 ' OE2' HG11 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -70.21 -44.76 67.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.507 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -51.09 -36.15 38.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.86 28.24 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -147.59 -61.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.515 ' N ' ' O ' ' A' ' 72' ' ' GLU . 12.7 mmt -90.28 177.64 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 7.8 t -89.86 -171.22 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' ' 77' ' ' THR . 2.6 mp -70.83 -37.83 73.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -56.3 -55.4 33.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.374 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.23 -44.53 92.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.514 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -56.52 -34.77 67.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -73.47 -37.62 65.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -54.58 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.639 HG11 ' OE2' ' A' ' 72' ' ' GLU . 27.4 m -57.31 -49.89 78.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.966 HD11 ' HD2' ' A' ' 69' ' ' LYS . 6.2 mm -49.85 -42.01 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.84 -24.16 62.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 84' ' ' VAL . 0.3 OUTLIER -81.07 -29.6 34.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.815 HG22 ' CE2' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -87.86 -62.76 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.815 ' CE2' HG22 ' A' ' 88' ' ' ILE . 3.1 p90 169.75 145.86 0.1 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.64 36.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.776 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.39 123.5 4.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 111.035 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.784 ' HA ' HD21 ' A' ' 63' ' ' LEU . 3.4 tt0 -115.69 54.16 0.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.8 p -122.62 151.69 41.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -45.24 149.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.6 m-85 -162.1 -177.6 5.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.05 140.16 39.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 111.044 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.92 HG13 ' O ' ' A' ' 24' ' ' THR . 71.4 t -126.47 132.59 70.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.899 HD13 ' O ' ' A' ' 97' ' ' VAL . 4.4 mm -124.4 127.33 73.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.661 ' CB ' HG23 ' A' ' 23' ' ' ILE . 7.9 tt0 -96.6 150.9 20.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.779 ' HB2' HD12 ' A' ' 53' ' ' ILE . 5.2 p90 -148.27 170.66 17.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -152.55 149.08 28.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.4 t -92.3 128.19 38.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 108.294 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.442 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 3.0 t30 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.442 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -93.72 -52.21 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.579 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 3.8 tt -164.38 144.45 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.6 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.4 p -108.38 170.73 7.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 7' ' ' THR . 44.3 m-85 -154.33 134.6 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.568 ' CD2' ' HG3' ' A' ' 11' ' ' ARG . 6.2 t80 -44.08 164.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -56.3 -44.32 79.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.568 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 34.3 mtp85 -49.37 -48.17 47.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.536 ' O ' HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -62.12 -31.76 72.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.537 ' HB3' HH21 ' A' ' 43' ' ' ARG . 0.0 OUTLIER -66.91 -45.87 76.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.132 . . . . 0.0 110.282 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.746 ' HA ' HD23 ' A' ' 17' ' ' LEU . 7.8 t70 -65.08 -57.54 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.94 -42.98 60.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.536 HD12 ' O ' ' A' ' 12' ' ' PHE . 46.0 mt -63.05 -47.0 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.746 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -59.08 -28.52 66.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.53 18.51 7.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 72.3 -116.08 5.68 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.489 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER 45.22 97.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 0.0 110.286 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.489 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -34.02 106.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.1 m -100.78 120.21 39.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.444 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.906 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -96.13 158.81 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.846 ' O ' HG13 ' A' ' 97' ' ' VAL . 68.5 p -138.86 166.92 23.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.816 HG13 HG22 ' A' ' 97' ' ' VAL . 4.1 mp -122.25 140.01 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.439 ' NE ' HG12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -138.99 163.74 31.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' SER . 13.8 t0 -91.42 130.63 37.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -50.12 -43.16 51.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -25.42 48.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -121.68 16.15 11.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.7 t -105.35 105.43 15.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.956 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -158.31 114.73 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.636 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -179.58 -154.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -147.8 157.7 43.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m -80.55 166.26 21.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.91 14.46 63.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.549 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -102.6 -172.75 2.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.636 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -102.85 141.52 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.509 ' O ' HG13 ' A' ' 41' ' ' VAL . 12.2 mt -122.92 109.37 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 134.0 56.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 39' ' ' LEU . 20.1 m -138.48 174.4 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.4 -107.17 0.2 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.537 HH21 ' HB3' ' A' ' 13' ' ' GLN . 7.6 ttm180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.755 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.636 HG22 HG13 ' A' ' 38' ' ' VAL . 4.6 m -126.87 147.24 50.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.731 HD13 ' CG ' ' A' ' 100' ' ' PHE . 1.0 OUTLIER -132.15 172.77 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -125.78 139.33 53.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -72.35 161.41 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.481 HG21 ' HE3' ' A' ' 101' ' ' LYS . 13.8 t -141.37 -45.38 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.441 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -144.63 169.73 17.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.965 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.3 m -160.07 140.59 11.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -157.14 168.09 28.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.958 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.58 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -103.39 110.79 22.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 60' ' ' THR . 0.2 OUTLIER -158.28 174.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.66 HG22 ' H ' ' A' ' 63' ' ' LEU . 3.9 m -72.98 -154.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.432 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.66 ' H ' HG22 ' A' ' 62' ' ' THR . 0.8 OUTLIER -99.78 -71.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.434 ' N ' HD12 ' A' ' 63' ' ' LEU . 5.4 t0 -54.73 -9.59 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.485 ' H ' ' C ' ' A' ' 63' ' ' LEU . 1.2 p -76.69 0.3 20.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.645 HD13 ' HB ' ' A' ' 23' ' ' ILE . 1.4 pp -178.93 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.942 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.1 t -41.47 153.16 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.531 ' HG3' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -52.5 -22.6 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.942 ' H ' HG23 ' A' ' 67' ' ' THR . 28.0 tttt -49.14 -35.13 15.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -68.94 -54.98 12.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.59 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.46 -37.38 65.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 76' ' ' MET . 2.2 tt0 -72.66 -43.58 62.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.531 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -48.88 -36.32 16.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.44 26.91 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' GLU . 12.7 t-20 -145.49 -60.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.522 ' N ' ' O ' ' A' ' 72' ' ' GLU . 19.4 mmm -90.33 178.6 6.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.462 HG23 ' H ' ' A' ' 80' ' ' GLU . 9.4 t -88.29 -177.78 5.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.1 mp -71.26 -38.06 71.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 m -60.1 -45.95 91.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.347 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.482 ' O ' HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -68.03 -37.32 81.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.531 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -61.96 -37.34 84.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -73.13 -38.47 66.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -53.42 57.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 80' ' ' GLU . 14.3 m -63.09 -49.61 82.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.85 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.3 mm -52.56 -40.65 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.54 -22.57 58.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.452 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -83.98 -27.23 28.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.784 HG22 ' CE2' ' A' ' 89' ' ' TYR . 0.3 OUTLIER -95.24 -60.32 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.784 ' CE2' HG22 ' A' ' 88' ' ' ILE . 1.0 OUTLIER 171.93 162.33 0.25 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -41.54 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.25 109.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -86.87 -142.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.754 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.57 ' O ' ' C ' ' A' ' 94' ' ' GLN . 35.6 p -60.19 157.94 12.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.57 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.5 tt0 -23.17 136.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.494 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.3 m-85 -144.26 -177.76 5.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.02 143.78 52.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.846 HG13 ' O ' ' A' ' 24' ' ' THR . 53.1 t -133.85 133.77 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.965 HG23 ' OG1' ' A' ' 58' ' ' THR . 3.2 mm -123.41 118.96 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.906 ' CG ' HG23 ' A' ' 23' ' ' ILE . 16.6 tt0 -95.89 140.39 30.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.351 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.731 ' CG ' HD13 ' A' ' 53' ' ' ILE . 2.7 p90 -148.68 170.21 18.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.481 ' HE3' HG21 ' A' ' 56' ' ' THR . 58.3 mttt -126.02 163.73 22.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.434 ' HB2' HG23 ' A' ' 16' ' ' ILE . 21.6 t -91.94 104.94 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 108.307 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 102' ' ' CYS . 3.2 pp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 40' ' ' ARG . 18.0 t-20 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.427 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 4.9 m-20 -94.37 -47.19 6.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.898 HD11 ' NH1' ' A' ' 26' ' ' ARG . 0.4 OUTLIER -165.22 139.2 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.408 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -101.81 164.63 11.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.389 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.57 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 43.5 m-85 -148.67 136.13 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.603 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 4.5 t80 -39.72 154.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -49.77 -51.38 39.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.575 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 5.0 mtp85 -50.08 -47.58 53.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.512 ' CE1' HD12 ' A' ' 88' ' ' ILE . 10.9 m-85 -62.27 -35.5 79.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.424 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -63.45 -48.24 78.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.297 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.59 -46.69 88.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -34.91 71.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.468 HG12 ' CZ ' ' A' ' 100' ' ' PHE . 30.5 mt -66.88 -45.31 87.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.749 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.52 -25.4 62.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.352 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.88 -3.53 35.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 57.21 37.23 79.35 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 21' ' ' LYS . 14.1 mtt-85 -99.3 100.24 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.421 0.718 . . . . 0.0 110.323 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -37.69 105.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 m -119.8 148.88 42.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.811 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -98.56 154.13 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.866 ' O ' HG13 ' A' ' 97' ' ' VAL . 44.7 p -121.32 174.61 6.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.755 HG13 HG22 ' A' ' 97' ' ' VAL . 4.6 mp -134.44 127.58 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.898 ' NH1' HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -128.02 171.81 11.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.604 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 26.0 t0 -102.76 129.64 49.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -53.99 -39.87 66.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.332 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.3 t -62.04 -15.99 48.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.049 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' SER . 12.7 mm-40 -119.14 11.17 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.61 120.9 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.418 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -113.15 -136.56 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.621 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 5' ' ' ASP . 37.2 m-85 -47.34 175.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -131.21 -169.82 2.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.8 m -69.9 148.65 48.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.83 -14.91 61.92 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.609 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -86.99 -170.89 3.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.1 t -107.86 148.08 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -126.2 101.8 6.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.426 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -78.09 126.42 30.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.553 HG12 ' CE1' ' A' ' 8' ' ' PHE . 18.1 m -108.78 162.54 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.92 -87.8 0.07 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.56 1.162 . . . . 0.0 110.987 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 110.28 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 11.0 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -136.07 147.25 47.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.692 HD12 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -144.51 172.65 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -124.6 152.55 43.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -74.98 140.5 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.409 HG22 ' C ' ' A' ' 99' ' ' GLU . 13.8 t -109.52 -46.1 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.415 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.13 168.93 24.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.83 HG23 ' CD1' ' A' ' 98' ' ' ILE . 3.7 m -144.65 147.83 33.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 110.441 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.62 170.06 23.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.496 HG22 ' CD1' ' A' ' 96' ' ' TYR . 0.7 OUTLIER -114.05 108.82 17.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.401 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -155.5 174.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.765 HG22 ' H ' ' A' ' 63' ' ' LEU . 8.8 m -75.72 -152.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.371 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.789 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -100.65 -73.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.432 ' HA ' HG22 ' A' ' 67' ' ' THR . 5.3 t0 -54.9 -11.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.513 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.1 p -70.54 -5.89 32.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.579 HD21 HG21 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -174.03 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.936 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -41.68 154.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.75 -23.62 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.936 ' H ' HG23 ' A' ' 67' ' ' THR . 56.7 tttt -49.34 -30.1 7.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -72.0 -55.22 7.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.572 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.74 -38.42 72.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.836 ' OE2' HG11 ' A' ' 84' ' ' VAL . 1.8 tt0 -72.15 -44.53 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.476 ' HG2' ' CD1' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -49.43 -36.13 21.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.17 27.63 4.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.405 ' CG ' ' SD ' ' A' ' 76' ' ' MET . 50.9 t-20 -146.99 -61.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.544 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.5 mpt? -90.65 -179.88 5.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 7.1 t -91.94 -172.03 3.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.442 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.5 OUTLIER -70.73 -37.78 73.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.3 m -56.79 -57.15 13.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -55.57 -44.21 76.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.489 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -57.12 -40.99 78.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.91 -29.42 67.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -53.39 24.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.836 HG11 ' OE2' ' A' ' 72' ' ' GLU . 5.0 m -65.02 -41.01 90.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.917 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.8 mm -60.1 -37.73 74.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.2 -24.17 51.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.603 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -82.37 -27.68 31.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.64 HG23 ' CD2' ' A' ' 89' ' ' TYR . 1.2 tt -86.47 -57.69 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.64 ' CD2' HG23 ' A' ' 88' ' ' ILE . 11.2 p90 168.12 141.64 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 157.68 42.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.95 122.22 4.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.44 1.088 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.789 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -115.73 83.46 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.438 ' CG2' ' C ' ' A' ' 92' ' ' GLN . 20.0 p -150.45 152.65 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 93' ' ' THR . 10.0 mt-30 -37.32 148.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.604 ' CD1' ' HA ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -162.12 -178.86 6.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.496 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -87.79 120.39 29.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.969 ' O ' HD13 ' A' ' 98' ' ' ILE . 81.5 t -100.5 133.06 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.969 HD13 ' O ' ' A' ' 97' ' ' VAL . 4.2 mm -125.92 124.66 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.236 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.811 ' CG ' HG23 ' A' ' 23' ' ' ILE . 10.9 tt0 -95.45 153.04 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.692 ' CD1' HD12 ' A' ' 53' ' ' ILE . 7.3 p90 -147.49 155.96 42.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -138.83 152.31 47.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.9 t -91.62 108.18 19.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.336 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.461 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 1.3 t-20 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 2.1 m-20 -94.33 -55.24 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.828 HD12 ' NH1' ' A' ' 26' ' ' ARG . 18.7 tt -146.09 141.93 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.1 p -108.54 166.49 10.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.379 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.842 ' HD2' HG23 ' A' ' 41' ' ' VAL . 42.5 m-85 -157.37 124.09 5.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 11' ' ' ARG . 7.0 t80 -38.66 158.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.429 ' OE1' ' N ' ' A' ' 11' ' ' ARG . 1.4 pp0? -51.32 -52.44 45.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.574 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -55.32 -47.79 75.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.417 ' CE1' HG21 ' A' ' 22' ' ' THR . 0.5 OUTLIER -62.23 -36.02 80.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.501 ' OE1' HG22 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -63.84 -47.48 80.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.592 ' HA ' HD23 ' A' ' 17' ' ' LEU . 3.9 t70 -59.16 -46.54 88.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -56.58 -41.61 77.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.63 -43.7 96.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.28 -25.53 61.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -76.64 -1.02 25.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.71 66.67 2.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -130.49 96.11 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.278 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -36.02 104.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.417 HG21 ' CE1' ' A' ' 12' ' ' PHE . 85.8 m -116.26 153.66 31.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.422 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.968 HD13 ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -95.67 160.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.912 ' O ' HG13 ' A' ' 97' ' ' VAL . 29.7 p -142.9 173.98 11.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.987 HG13 HG22 ' A' ' 97' ' ' VAL . 4.5 mp -133.84 141.13 44.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.828 ' NH1' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -136.07 171.75 14.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -100.7 126.8 47.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -51.66 -43.28 62.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.98 -13.71 28.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' SER . 20.7 mt-10 -121.42 14.28 11.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.77 100.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.49 ' NE2' ' NH1' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -80.01 -136.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.608 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.456 ' N ' ' CG ' ' A' ' 32' ' ' HIS . 6.6 m-85 -52.91 -170.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.536 ' O ' HG21 ' A' ' 55' ' ' VAL . 27.3 mmtp -135.01 -170.35 2.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.4 m -73.68 164.55 26.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.52 14.79 43.92 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.631 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -117.84 -172.21 2.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 0.747 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.556 HG13 ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -104.22 150.03 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.578 HD12 HG22 ' A' ' 55' ' ' VAL . 17.6 mt -130.27 113.18 14.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -68.19 117.07 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.842 HG23 ' HD2' ' A' ' 8' ' ' PHE . 2.2 p -96.83 139.0 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.76 -173.35 21.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.325 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.556 ' CG2' HG13 ' A' ' 38' ' ' VAL . 23.3 m -125.2 150.85 46.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 110.421 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.901 HD12 ' N ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -138.15 171.4 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.901 ' N ' HD12 ' A' ' 53' ' ' ILE . 2.2 mt-10 -120.72 143.2 48.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -76.09 159.79 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.0 t -135.53 -45.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.12 168.43 19.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.89 HG23 HD13 ' A' ' 98' ' ' ILE . 1.9 m -165.18 131.64 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -158.05 169.72 23.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.482 ' C ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -89.44 113.59 24.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.748 ' HB ' HD21 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -156.43 167.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.764 HG23 ' CA ' ' A' ' 94' ' ' GLN . 0.2 OUTLIER -82.08 -161.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.4 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.4 OUTLIER -92.8 -74.43 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 70' ' ' HIS . 3.0 t0 -49.92 -13.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.516 HG23 ' HB ' ' A' ' 62' ' ' THR . 16.1 p -77.11 2.55 14.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.968 ' HB2' HD13 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -174.9 -46.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.872 HG22 ' H ' ' A' ' 69' ' ' LYS . 1.2 m -46.04 148.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.456 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -43.86 -22.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.872 ' H ' HG22 ' A' ' 67' ' ' THR . 2.9 tptm -46.04 -32.62 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 8.7 t60 -65.95 -54.8 21.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.589 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.58 81.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.568 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -60.22 -44.61 95.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.47 ' N ' HD11 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -51.14 -38.43 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -99.36 28.41 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -146.07 -61.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.568 ' N ' ' O ' ' A' ' 72' ' ' GLU . 14.6 mmt -90.42 177.49 6.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 0.9 OUTLIER -90.04 176.92 6.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.348 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.488 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.5 OUTLIER -61.82 -36.88 82.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -56.63 -50.8 70.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.425 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.5 -47.12 87.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.511 HD13 ' HD2' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -56.02 -37.08 68.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -69.32 -37.33 77.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -60.12 -53.08 62.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 81' ' ' LEU . 5.1 m -65.12 -39.03 84.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -60.7 -37.73 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.72 -26.34 54.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.554 ' OD1' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -79.38 -28.32 41.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.615 HG23 ' CG ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -86.94 -57.36 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.615 ' CG ' HG23 ' A' ' 88' ' ' ILE . 7.9 p90 164.85 147.97 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -177.1 3.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.24 120.82 0.72 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 92' ' ' GLN . 3.4 tm0? -102.96 69.25 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.3 p -144.03 148.44 35.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.764 ' CA ' HG23 ' A' ' 62' ' ' THR . 13.9 pt20 -65.86 160.4 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 110.287 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.61 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -164.96 -177.88 4.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.13 133.09 55.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.987 HG22 HG13 ' A' ' 25' ' ' ILE . 50.4 t -114.85 138.26 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.89 HD13 HG23 ' A' ' 58' ' ' THR . 6.9 mm -126.25 111.89 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.505 ' CB ' HG23 ' A' ' 23' ' ' ILE . 7.4 tt0 -96.08 141.7 29.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.782 ' HB2' HD13 ' A' ' 53' ' ' ILE . 1.5 p90 -146.75 173.22 12.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -146.27 155.38 42.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 10.5 t -91.79 125.07 36.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.343 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.99 -42.8 10.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.753 HD13 ' HE ' ' A' ' 26' ' ' ARG . 1.2 tp -164.02 142.64 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.454 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -111.33 165.59 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.422 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 41' ' ' VAL . 9.6 m-85 -155.7 130.9 9.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.609 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 6.3 t80 -37.26 157.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -49.86 -51.67 38.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.591 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 4.1 mtt-85 -49.39 -46.11 46.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -31.94 72.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -53.15 44.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.697 ' HA ' HD23 ' A' ' 17' ' ' LEU . 8.7 t70 -56.09 -45.5 79.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.5 -45.01 81.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.2 mt -61.77 -45.01 99.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.26 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.697 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.88 -25.65 63.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.82 11.75 14.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 67.54 -115.92 7.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 42.69 94.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 0.774 . . . . 0.0 110.301 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -38.95 134.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -139.18 148.06 42.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.874 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -98.31 152.32 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.931 ' O ' HG13 ' A' ' 97' ' ' VAL . 34.4 p -118.0 172.63 7.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.71 HG13 HG22 ' A' ' 97' ' ' VAL . 4.3 mp -130.71 128.39 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.753 ' HE ' HD13 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -125.24 171.82 10.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -109.8 129.69 55.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 31' ' ' SER . 14.9 tp10 -54.31 -35.09 62.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 t -62.88 -12.7 26.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 31' ' ' SER . 10.1 mm-40 -120.38 11.13 11.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.31 131.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.586 ' CE1' ' NH2' ' A' ' 26' ' ' ARG . 2.0 p-80 -148.39 -122.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.567 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.467 ' O ' ' O ' ' A' ' 32' ' ' HIS . 4.6 m-30 -44.3 175.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.88 -164.33 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.7 m -74.55 158.77 33.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.86 16.02 80.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.579 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -123.37 -171.55 2.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.559 HG13 HG22 ' A' ' 52' ' ' THR . 1.0 OUTLIER -106.81 147.91 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.42 HD12 HG22 ' A' ' 55' ' ' VAL . 27.0 mt -129.48 106.05 8.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -70.88 134.19 47.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.573 HG12 ' CE1' ' A' ' 8' ' ' PHE . 13.8 m -115.12 140.29 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.76 -141.33 4.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.504 0.767 . . . . 0.0 110.288 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.559 HG22 HG13 ' A' ' 38' ' ' VAL . 2.2 m -128.11 154.23 45.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.392 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.725 HD12 ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -141.13 172.56 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -121.89 145.25 48.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.706 ' CG1' HG22 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -75.38 151.67 6.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 100' ' ' PHE . 5.1 t -125.18 -45.99 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.16 170.2 18.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.806 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.4 m -148.38 149.0 30.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.16 169.05 25.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.514 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -110.81 105.85 14.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.356 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.526 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.97 173.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.735 HG22 ' H ' ' A' ' 63' ' ' LEU . 6.0 m -72.38 -152.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.41 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.735 ' H ' HG22 ' A' ' 62' ' ' THR . 0.6 OUTLIER -102.4 -66.92 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.94 -6.7 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.477 ' OG1' ' HB ' ' A' ' 62' ' ' THR . 1.0 OUTLIER -77.1 -2.45 34.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.034 HD12 ' N ' ' A' ' 67' ' ' THR . 3.4 pp -173.24 -43.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 1.034 ' N ' HD12 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -43.12 149.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.441 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.06 -22.91 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.244 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.908 ' H ' HG23 ' A' ' 67' ' ' THR . 0.4 OUTLIER -49.24 -30.37 7.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -63.95 -52.67 58.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.612 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.17 90.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 76' ' ' MET . 15.7 tt0 -64.0 -44.68 91.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.614 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -53.63 -38.35 63.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.628 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 5.5 tt0 -92.46 20.96 5.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -135.68 -59.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.511 ' HB2' ' CD2' ' A' ' 81' ' ' LEU . 25.9 mmt -91.14 177.23 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.476 ' O ' HD23 ' A' ' 81' ' ' LEU . 8.3 t -83.49 -179.15 7.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.35 -36.66 74.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.14 -53.95 52.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.404 ' H ' HG23 ' A' ' 77' ' ' THR . 1.4 mt-10 -58.63 -48.86 79.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.614 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.3 OUTLIER -51.28 -48.56 62.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -32.54 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -52.66 62.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.623 HG23 ' CE ' ' A' ' 69' ' ' LYS . 20.2 m -65.36 -38.45 82.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 81' ' ' LEU . 3.8 mt -56.94 -37.99 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.18 -34.86 63.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.609 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -71.97 -27.68 62.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.661 HG23 ' CG ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -91.95 -57.56 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.661 ' CG ' HG23 ' A' ' 88' ' ' ILE . 1.8 p90 161.45 162.47 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.488 ' O ' ' C ' ' A' ' 91' ' ' GLY . 18.3 Cg_endo -75.02 -92.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 90' ' ' PRO . . . 30.4 88.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.635 ' CG ' ' O ' ' A' ' 92' ' ' GLN . 4.5 tt0 -101.52 44.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.51 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 34.6 p -151.47 151.83 32.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.44 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 93' ' ' THR . 13.6 mt-30 -36.81 146.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.526 ' O ' ' O ' ' A' ' 61' ' ' VAL . 8.4 m-85 -158.94 -178.83 7.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.423 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -75.41 144.26 42.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 111.061 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.931 HG13 ' O ' ' A' ' 24' ' ' THR . 74.2 t -130.95 132.06 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.806 HG23 ' OG1' ' A' ' 58' ' ' THR . 4.0 mm -124.25 126.18 71.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.874 ' CG ' HG23 ' A' ' 23' ' ' ILE . 11.2 tt0 -95.48 157.07 16.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.725 ' CD1' HD12 ' A' ' 53' ' ' ILE . 9.7 p90 -146.83 167.48 23.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.41 139.11 40.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.9 t -92.68 123.99 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.325 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 40' ' ' ARG . 2.0 t-20 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.609 ' CG ' ' CE2' ' A' ' 33' ' ' PHE . 5.4 m-20 -90.84 -54.04 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.527 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 2.2 tt -160.54 143.52 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.404 ' C ' ' CG ' ' A' ' 8' ' ' PHE . 1.8 p -106.07 173.23 6.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.527 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 33.2 m-85 -154.78 131.86 10.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.606 ' CE1' ' OD1' ' A' ' 87' ' ' ASP . 4.5 t80 -40.11 162.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.32 -46.41 88.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.583 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 3.5 mtt-85 -57.07 -38.3 73.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.687 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 3.8 m-85 -63.55 -40.25 96.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -53.46 46.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.574 ' HA ' HD23 ' A' ' 17' ' ' LEU . 8.9 t70 -58.39 -44.29 88.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -45.68 74.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 20' ' ' ARG . 37.9 mt -58.86 -44.02 89.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.93 -33.65 70.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.67 17.37 22.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 20' ' ' ARG . . . -143.68 -78.92 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.533 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.9 tpm_? 86.71 26.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.47 100.26 0.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.622 ' O ' ' CE1' ' A' ' 100' ' ' PHE . 1.8 m -154.32 156.37 36.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.009 HD13 ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -103.24 158.53 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.875 ' O ' HG13 ' A' ' 97' ' ' VAL . 21.7 p -127.16 173.35 9.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.872 HG21 ' CE1' ' A' ' 95' ' ' PHE . 4.3 mp -130.64 142.27 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.533 ' NH2' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -139.59 171.83 13.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -99.87 128.93 45.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -55.83 -39.61 71.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.67 -13.73 25.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -120.06 9.15 11.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.17 111.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.48 ' NE2' ' NH2' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -110.78 -129.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.611 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.609 ' CE2' ' CG ' ' A' ' 5' ' ' ASP . 42.2 m-85 -43.13 168.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.489 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -128.0 -164.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.439 ' HA ' ' HB ' ' A' ' 55' ' ' VAL . 17.2 m -73.44 152.03 40.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 110.37 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.67 -14.34 42.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.451 1.094 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.701 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -87.08 -171.06 3.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 0.73 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.675 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -108.23 151.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.533 HD22 ' NH2' ' A' ' 26' ' ' ARG . 18.0 mt -128.49 112.54 14.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.448 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 1.0 OUTLIER -71.39 109.05 5.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.4 t -82.67 140.01 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -156.29 147.18 15.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.437 0.728 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.675 HG22 HG13 ' A' ' 38' ' ' VAL . 3.0 m -125.91 142.44 51.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.851 HD12 ' C ' ' A' ' 53' ' ' ILE . 0.7 OUTLIER -134.52 171.92 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.745 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.6 mt-10 -116.23 143.44 45.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -72.06 145.81 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.453 ' CG2' ' HB3' ' A' ' 99' ' ' GLU . 9.9 t -114.14 -47.07 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.433 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.46 169.26 22.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.805 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.4 m -155.93 139.37 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.81 164.79 35.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.66 HG22 ' CD1' ' A' ' 96' ' ' TYR . 1.2 p -93.81 120.99 34.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.382 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.545 HG22 ' C ' ' A' ' 60' ' ' THR . 0.0 OUTLIER -159.67 174.22 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.505 HG22 ' H ' ' A' ' 63' ' ' LEU . 1.7 m -77.59 -155.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.438 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' A' ' 67' ' ' THR . 1.0 OUTLIER -98.5 -66.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.461 ' HA ' HG22 ' A' ' 67' ' ' THR . 4.1 t0 -61.01 -8.59 3.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.48 HG23 ' HB ' ' A' ' 62' ' ' THR . 1.4 p -74.48 -3.04 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.009 ' HB2' HD13 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -171.91 -42.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.938 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -42.87 154.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -48.91 -23.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.938 ' H ' HG23 ' A' ' 67' ' ' THR . 52.8 tttt -48.55 -29.91 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -70.68 -56.07 7.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.598 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.64 -50.35 74.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.648 ' OE1' HG11 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -61.57 -43.07 99.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.254 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.563 ' CA ' HD11 ' A' ' 81' ' ' LEU . 8.1 tt0 -50.56 -38.75 46.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -101.05 31.4 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -148.11 -59.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.545 ' N ' ' O ' ' A' ' 72' ' ' GLU . 12.8 mmt -90.49 178.01 6.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 6.0 t -84.66 -173.86 4.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.424 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.461 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.1 OUTLIER -70.81 -41.69 71.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.4 m -57.54 -46.68 83.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.523 ' O ' HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -59.57 -40.84 88.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.563 HD11 ' CA ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -61.71 -38.42 87.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -71.42 -29.58 65.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -53.33 16.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.648 HG11 ' OE1' ' A' ' 72' ' ' GLU . 4.6 m -64.75 -39.82 86.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.872 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.7 mm -62.52 -38.73 82.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.75 -20.91 52.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.606 ' OD1' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -85.87 -28.46 24.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.687 ' CD1' ' CZ ' ' A' ' 12' ' ' PHE . 2.3 tt -84.33 -58.07 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.652 ' CD2' HG23 ' A' ' 88' ' ' ILE . 16.3 p90 172.07 135.39 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.3 Cg_endo -75.01 161.01 39.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.553 1.818 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.82 122.77 5.03 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -107.79 80.94 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 0.794 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.662 ' O ' ' CE2' ' A' ' 95' ' ' PHE . 22.9 p -144.62 153.56 41.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -68.86 147.65 51.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.329 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.872 ' CE1' HG21 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -162.78 -178.65 6.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.66 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.8 OUTLIER -65.93 149.84 49.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.875 HG13 ' O ' ' A' ' 24' ' ' THR . 78.2 t -132.2 123.62 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.805 HG23 ' OG1' ' A' ' 58' ' ' THR . 2.8 mm -112.05 128.33 68.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.846 ' CB ' HG23 ' A' ' 23' ' ' ILE . 13.9 tt0 -98.04 152.54 19.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.709 ' HB2' HD13 ' A' ' 53' ' ' ILE . 20.3 p90 -138.29 152.21 48.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -155.27 145.94 22.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.466 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 6.5 t -92.72 128.39 38.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.322 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.41 ' ND2' ' HB3' ' A' ' 40' ' ' ARG . 2.4 t-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -107.23 -42.93 4.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.555 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -164.95 138.53 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.493 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 5.0 p -100.73 176.89 5.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.632 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 59.8 m-85 -159.33 128.56 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.789 ' CZ ' ' CD2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -36.64 154.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 110.984 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -49.59 -47.42 49.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -48.92 -32.77 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.789 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -75.42 -32.58 60.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -42.77 89.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.642 ' HA ' HD23 ' A' ' 17' ' ' LEU . 1.1 t70 -69.74 -52.48 25.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.587 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -55.22 -47.84 74.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.6 mt -55.92 -46.2 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.642 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -57.62 -24.55 57.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -75.97 -2.29 29.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 56.75 62.61 6.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 21' ' ' LYS . 15.3 mtt180 -127.34 97.21 4.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -36.15 106.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.455 HG21 ' CE1' ' A' ' 12' ' ' PHE . 24.5 m -118.19 151.74 37.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.45 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.904 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -95.95 158.1 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.742 ' O ' HG13 ' A' ' 97' ' ' VAL . 31.1 p -130.62 162.81 28.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.405 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.819 HG21 ' CE1' ' A' ' 95' ' ' PHE . 4.3 mp -121.74 141.42 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.531 ' NH1' ' CD1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -143.24 171.35 14.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 29' ' ' SER . 16.0 t0 -101.36 134.21 44.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 5.9 tp10 -48.55 -52.84 20.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.439 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 78.9 p -57.24 -17.53 12.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -129.73 32.91 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -54.41 -170.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.427 ' N ' ' OG ' ' A' ' 31' ' ' SER . 26.0 p-80 -113.61 -146.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.624 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -94.61 -67.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.033 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -177.61 -165.05 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.2 m -96.6 154.43 17.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.419 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.26 -14.39 45.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -79.46 -174.18 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.508 HG13 ' CG2' ' A' ' 52' ' ' THR . 1.1 t -105.52 141.53 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.814 HD12 HG22 ' A' ' 55' ' ' VAL . 14.8 mt -123.75 103.93 8.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.41 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -57.03 117.18 3.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.342 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.54 HG23 ' CD1' ' A' ' 8' ' ' PHE . 6.0 p -95.75 143.62 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.01 -131.89 2.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.473 ' C ' HG12 ' A' ' 41' ' ' VAL . 56.5 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.508 ' CG2' HG13 ' A' ' 38' ' ' VAL . 23.8 m -123.12 140.94 52.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.661 ' CD1' ' CG ' ' A' ' 100' ' ' PHE . 1.2 pt -126.6 171.99 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -127.27 136.34 51.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.814 HG22 HD12 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -68.97 164.58 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.3 t -138.62 -45.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.59 169.08 19.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 1.0 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.8 m -155.68 138.46 15.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -158.25 166.35 32.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.552 ' C ' HG22 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -99.71 119.23 37.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.552 HG22 ' C ' ' A' ' 60' ' ' THR . 0.0 OUTLIER -159.71 175.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.665 ' OG1' HG21 ' A' ' 65' ' ' THR . 0.2 OUTLIER -77.29 -154.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 67' ' ' THR . 1.0 OUTLIER -97.86 -66.58 0.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.415 ' H ' ' HG ' ' A' ' 63' ' ' LEU . 1.8 t0 -61.9 -7.02 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.248 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.665 HG21 ' OG1' ' A' ' 62' ' ' THR . 1.2 p -76.69 -2.64 33.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.572 HD21 HG21 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -172.82 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.953 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.1 t -41.92 153.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.389 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.56 -22.81 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.991 ' HD2' HD11 ' A' ' 85' ' ' ILE . 52.0 tttt -48.72 -31.99 7.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -69.17 -55.81 9.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.579 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.7 68.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -71.77 -44.91 63.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.475 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -50.59 -34.15 24.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.91 29.76 4.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -150.72 -60.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.557 ' N ' ' O ' ' A' ' 72' ' ' GLU . 18.1 mmt -90.21 177.97 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 8.6 t -90.2 -167.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.2 OUTLIER -72.11 -39.82 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -55.64 -55.44 32.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 76' ' ' MET . 1.3 mt-10 -56.03 -43.88 78.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.504 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -59.88 -34.83 73.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -30.59 64.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -53.15 30.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 81' ' ' LEU . 11.5 m -59.88 -41.55 86.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.991 HD11 ' HD2' ' A' ' 69' ' ' LYS . 6.7 mm -60.15 -40.37 83.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.64 -23.93 60.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.68 -28.99 27.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.648 ' O ' ' HB3' ' A' ' 89' ' ' TYR . 1.7 tt -83.69 -57.89 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.648 ' HB3' ' O ' ' A' ' 88' ' ' ILE . 10.4 p90 161.92 143.55 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.2 Cg_endo -75.07 148.23 34.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.7 125.15 5.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.29 71.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.636 ' O ' ' CZ ' ' A' ' 95' ' ' PHE . 17.8 p -127.51 152.09 48.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 10.6 tt0 -74.29 152.86 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.819 ' CE1' HG21 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -163.13 -178.09 5.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.14 151.16 46.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.848 ' C ' HD13 ' A' ' 98' ' ' ILE . 64.8 t -136.78 124.6 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.0 HG23 ' OG1' ' A' ' 58' ' ' THR . 1.8 mm -113.85 122.3 67.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.904 ' CG ' HG23 ' A' ' 23' ' ' ILE . 17.5 tt0 -96.36 146.06 25.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.661 ' CG ' ' CD1' ' A' ' 53' ' ' ILE . 3.8 p90 -147.45 165.65 29.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 111.001 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 21' ' ' LYS . 2.1 pttt -139.18 150.96 46.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 7.5 t -91.61 127.15 36.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 108.313 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.421 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 10.7 t-20 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.602 ' CG ' ' CE2' ' A' ' 33' ' ' PHE . 16.1 m-20 -106.27 -45.65 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.578 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 11.2 tt -164.28 150.64 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.581 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.3 p -114.04 165.95 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.434 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.581 ' CD1' ' O ' ' A' ' 7' ' ' THR . 48.9 m-85 -156.13 125.34 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.616 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -45.68 172.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.11 -41.45 96.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.413 ' C ' ' OE1' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -49.22 -42.68 41.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.51 ' CD2' ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -65.09 -36.88 85.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 111.001 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.405 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -67.01 -46.32 74.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.436 ' HA ' HD23 ' A' ' 17' ' ' LEU . 13.4 t70 -59.2 -48.84 80.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -59.03 -39.03 80.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.483 ' CG2' ' HB2' ' A' ' 102' ' ' CYS . 30.6 mt -62.29 -45.33 99.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.96 -24.67 62.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.91 14.51 8.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 69.18 -124.63 16.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 43.03 93.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 110.26 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -37.49 103.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 m -81.11 139.34 35.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.926 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -103.32 148.66 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.713 ' O ' HG13 ' A' ' 97' ' ' VAL . 50.4 p -125.47 172.79 9.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.382 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.594 HG13 HG22 ' A' ' 97' ' ' VAL . 4.4 mp -122.72 140.83 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.612 ' NH2' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -139.65 171.42 14.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -102.32 132.52 48.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.04 -37.47 77.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -8.2 37.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 31' ' ' SER . 2.8 mt-10 -118.6 1.36 11.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -37.15 116.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.424 ' O ' ' O ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -118.73 -128.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.567 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.602 ' CE2' ' CG ' ' A' ' 5' ' ' ASP . 40.9 m-85 -42.89 168.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.436 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -124.14 -169.9 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.435 ' HA ' ' HB ' ' A' ' 55' ' ' VAL . 7.5 m -71.52 151.97 43.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.12 -13.55 49.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.575 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -89.06 -169.5 2.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 0.778 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.498 HG23 ' HG3' ' A' ' 54' ' ' GLU . 1.2 t -107.88 146.56 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.612 HD22 ' NH2' ' A' ' 26' ' ' ARG . 14.7 mt -122.9 113.34 18.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 134.54 53.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.51 HG12 ' N ' ' A' ' 42' ' ' GLY . 63.4 t -128.13 165.94 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.51 ' N ' HG12 ' A' ' 41' ' ' VAL . . . 176.15 93.84 0.09 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 110.324 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.4 m -151.22 144.55 24.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.958 HD12 ' N ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -144.07 170.27 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.958 ' N ' HD12 ' A' ' 53' ' ' ILE . 4.6 tt0 -125.7 132.65 52.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -60.51 161.97 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.412 ' CG2' ' N ' ' A' ' 57' ' ' ALA . 3.2 t -139.45 -46.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -148.26 169.39 20.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.915 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.3 m -152.18 145.04 24.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.68 168.53 27.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.534 ' C ' HG22 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -102.69 112.19 24.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.39 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.534 HG22 ' C ' ' A' ' 60' ' ' THR . 0.0 OUTLIER -158.74 175.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.759 HG22 ' H ' ' A' ' 63' ' ' LEU . 6.7 m -84.12 -154.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.866 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.6 OUTLIER -96.84 -71.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -56.23 -9.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.467 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 3.6 p -78.3 1.36 22.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.423 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.798 HD21 HG21 ' A' ' 97' ' ' VAL . 2.5 pp -177.56 -41.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.946 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.0 OUTLIER -42.97 152.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.413 ' OE1' ' C ' ' A' ' 11' ' ' ARG . 1.1 mt-10 -49.64 -23.48 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.946 ' H ' HG23 ' A' ' 67' ' ' THR . 22.0 tttt -48.88 -29.56 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -72.39 -54.59 8.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.591 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.84 -38.75 73.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 76' ' ' MET . 2.8 tt0 -72.03 -43.66 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.578 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -49.07 -36.5 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.9 25.63 4.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.1 t-20 -145.5 -63.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.53 ' N ' ' O ' ' A' ' 72' ' ' GLU . 17.2 mmt -90.61 178.1 6.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.582 HG23 ' HB ' ' A' ' 79' ' ' THR . 2.0 t -96.86 173.43 7.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.359 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.406 ' N ' ' OG1' ' A' ' 77' ' ' THR . 2.0 mp -55.02 -34.48 63.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.582 ' HB ' HG23 ' A' ' 77' ' ' THR . 1.2 m -56.46 -57.6 11.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -45.4 93.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.578 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -53.79 -41.26 67.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -34.52 72.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.79 -54.13 43.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.498 ' O ' ' CG1' ' A' ' 88' ' ' ILE . 13.9 m -63.94 -49.22 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.845 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.8 mm -52.19 -41.39 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.58 -23.62 59.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.616 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -80.98 -29.06 35.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.892 HG22 ' CE2' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -90.4 -63.18 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.892 ' CE2' HG22 ' A' ' 88' ' ' ILE . 6.7 p90 171.44 143.34 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.2 Cg_endo -75.02 -167.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.28 114.86 0.19 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.866 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.5 tm0? -115.4 68.64 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.44 ' C ' HG23 ' A' ' 62' ' ' THR . 21.1 p -143.36 151.88 40.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 110.368 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -41.92 142.94 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.524 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.7 m-85 -161.17 -177.36 6.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.65 133.01 37.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.938 ' O ' HD13 ' A' ' 98' ' ' ILE . 55.2 t -116.28 138.23 47.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.938 HD13 ' O ' ' A' ' 97' ' ' VAL . 4.4 mm -128.83 118.67 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.926 ' CG ' HG23 ' A' ' 23' ' ' ILE . 6.9 tt0 -95.12 140.97 29.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.6 ' HB2' HD13 ' A' ' 53' ' ' ILE . 4.9 p90 -148.91 169.27 20.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.425 ' HE2' ' N ' ' A' ' 21' ' ' LYS . 17.2 mttt -127.9 155.16 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.483 ' HB2' ' CG2' ' A' ' 16' ' ' ILE . 4.0 t -79.18 104.82 10.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 108.248 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -107.99 -41.03 5.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.547 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -164.41 140.13 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.431 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -102.13 160.51 14.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.723 ' CD1' HG23 ' A' ' 41' ' ' VAL . 18.6 m-85 -144.61 120.5 10.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.615 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 7.8 t80 -40.8 158.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.82 -54.45 19.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.586 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 11.6 mtp-105 -51.55 -48.98 62.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.683 ' CE1' ' CD1' ' A' ' 88' ' ' ILE . 7.4 m-85 -63.83 -33.7 76.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.049 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.421 ' HB3' HH21 ' A' ' 43' ' ' ARG . 0.0 OUTLIER -67.24 -46.9 72.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.76 ' HA ' HD23 ' A' ' 17' ' ' LEU . 3.4 t0 -58.6 -49.64 76.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.547 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -54.63 -49.09 71.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.0 mt -58.51 -42.1 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.76 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.3 -24.06 58.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -75.44 -2.11 27.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 56.61 38.56 82.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -102.9 101.13 11.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 110.331 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -36.61 104.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.428 HG21 ' OE1' ' A' ' 68' ' ' GLU . 72.3 m -124.41 155.51 38.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.88 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -99.86 154.7 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.779 ' O ' HG13 ' A' ' 97' ' ' VAL . 81.2 p -138.08 174.27 10.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.802 HG13 HG22 ' A' ' 97' ' ' VAL . 3.5 mp -124.47 141.16 45.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.531 ' CZ ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -135.49 171.46 14.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.574 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 19.1 t0 -100.03 131.25 46.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -53.99 -43.85 70.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -60.1 -18.65 48.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.999 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' SER . 19.3 mt-10 -120.43 16.72 12.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.51 155.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -93.92 -142.78 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.617 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.9 -66.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.12 -171.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.418 ' HA ' ' HB ' ' A' ' 55' ' ' VAL . 7.4 m -81.97 153.88 26.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.98 -14.28 44.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.643 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -85.89 -170.08 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.609 HG13 ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -107.44 153.0 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.861 HD12 HG22 ' A' ' 55' ' ' VAL . 11.6 mt -134.58 108.87 8.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.69 129.7 42.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.794 HG13 ' HB2' ' A' ' 51' ' ' CYS . 7.6 p -111.22 135.83 49.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 43' ' ' ARG . . . -118.46 -134.69 5.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.421 HH21 ' HB3' ' A' ' 13' ' ' GLN . 1.4 ttt180 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 110.267 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.794 ' HB2' HG13 ' A' ' 41' ' ' VAL . 81.1 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.609 ' CG2' HG13 ' A' ' 38' ' ' VAL . 63.8 m -150.93 155.68 39.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.91 HD12 ' N ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -141.17 168.07 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.91 ' N ' HD12 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -118.65 137.54 53.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.861 HG22 HD12 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -74.84 160.54 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 99' ' ' GLU . 9.7 t -136.96 -44.84 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -149.03 168.58 22.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.947 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.3 m -148.93 151.46 34.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.62 168.95 25.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.515 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -115.83 106.43 13.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.409 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.528 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.36 173.28 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.622 HG23 ' C ' ' A' ' 93' ' ' THR . 1.1 m -69.62 -154.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.919 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -100.7 -71.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.408 ' HA ' HG22 ' A' ' 67' ' ' THR . 4.0 t0 -56.41 -8.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.484 ' H ' ' C ' ' A' ' 63' ' ' LEU . 2.1 p -74.97 -3.72 33.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.871 HD12 ' N ' ' A' ' 67' ' ' THR . 3.9 pp -175.21 -39.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.892 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.1 t -41.71 151.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -51.94 -23.54 5.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.892 ' H ' HG23 ' A' ' 67' ' ' THR . 2.7 tttm -48.16 -39.62 21.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -52.69 59.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.59 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.11 -43.39 63.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.675 ' HB3' HD21 ' A' ' 81' ' ' LEU . 2.1 tt0 -67.36 -43.72 80.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.496 ' CA ' HD11 ' A' ' 81' ' ' LEU . 2.6 tt0 -49.62 -34.74 18.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.631 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 6.7 tt0 -92.42 20.37 6.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' GLU . 7.1 t-20 -142.56 -62.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.531 ' N ' ' O ' ' A' ' 72' ' ' GLU . 33.6 mmt -90.27 178.31 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.49 HG23 ' H ' ' A' ' 80' ' ' GLU . 1.4 t -87.38 178.82 6.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.488 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.9 OUTLIER -67.77 -38.3 83.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.1 m -56.55 -56.57 19.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.49 ' H ' HG23 ' A' ' 77' ' ' THR . 3.1 mt-10 -54.38 -45.53 72.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.704 HD22 ' CG ' ' A' ' 69' ' ' LYS . 6.6 mt -60.34 -31.15 70.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -35.66 70.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -53.6 31.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.569 HG12 ' HE2' ' A' ' 9' ' ' PHE . 5.1 m -62.88 -44.27 99.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.854 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.0 mm -56.05 -41.55 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.28 -26.96 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.615 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -79.54 -27.8 41.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.683 ' CD1' ' CE1' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -88.65 -57.27 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.727 ' OH ' HD13 ' A' ' 25' ' ' ILE . 7.2 p90 164.78 146.57 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.4 Cg_endo -74.99 -163.66 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.27 115.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.919 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -115.2 52.32 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 110.28 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.622 ' C ' HG23 ' A' ' 62' ' ' THR . 22.3 p -132.51 152.74 51.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.424 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.603 ' N ' HG23 ' A' ' 62' ' ' THR . 7.5 mt-30 -34.32 144.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -161.83 -178.12 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.547 ' O ' HG23 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -76.43 141.85 41.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.093 . . . . 0.0 111.008 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.858 ' O ' HD13 ' A' ' 98' ' ' ILE . 52.9 t -130.23 134.42 62.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.947 HG23 ' OG1' ' A' ' 58' ' ' THR . 3.9 mm -127.75 121.72 57.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.88 ' CG ' HG23 ' A' ' 23' ' ' ILE . 12.0 tt0 -95.27 133.82 38.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.606 ' CE2' HG21 ' A' ' 24' ' ' THR . 23.7 p90 -148.96 169.08 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.423 ' HE2' HD23 ' A' ' 103' ' ' LEU . 19.3 pttm -136.04 157.73 46.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -91.38 125.3 36.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.575 HD11 ' HB2' ' A' ' 54' ' ' GLU . 11.5 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 6' ' ' ILE . 10.2 t-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -115.88 -37.79 3.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.558 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 6.4 tt -154.83 135.71 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -102.94 161.67 13.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.619 ' CD1' HG23 ' A' ' 41' ' ' VAL . 53.0 m-85 -146.17 114.89 6.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.71 ' HE2' HG12 ' A' ' 84' ' ' VAL . 6.9 t80 -48.97 166.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.428 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.5 OUTLIER -53.82 -45.36 70.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.04 -47.74 83.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -39.62 93.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.728 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -64.89 -46.33 82.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 110.255 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -57.54 -46.58 83.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.57 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -55.96 -47.23 78.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' A' ' 13' ' ' GLN . 17.1 mt -56.08 -42.7 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.805 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.97 -24.46 62.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -75.31 -6.81 51.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . 84.01 -46.24 3.62 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 19' ' ' GLY . 4.3 mtt180 -38.2 100.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.35 156.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 m -152.89 151.13 30.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.406 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.916 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -97.01 154.12 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.887 ' O ' HG13 ' A' ' 97' ' ' VAL . 18.2 p -124.71 173.73 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.642 HG13 HG22 ' A' ' 97' ' ' VAL . 3.8 mp -132.72 135.04 57.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.551 ' NH1' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -136.45 171.0 15.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.253 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' SER . 16.6 t0 -97.89 130.42 44.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 4.4 tp10 -47.16 -47.86 23.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.435 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 7.4 p -56.59 -21.12 24.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.4 mt-10 -129.48 27.45 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' ASP . 4.9 t -128.67 96.56 4.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.021 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -149.13 114.51 5.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.583 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -178.19 -156.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.84 165.21 28.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.6 m -85.55 167.27 15.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.02 13.73 60.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.629 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -100.61 -171.66 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.336 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.65 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -99.84 149.55 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.791 HD12 HG22 ' A' ' 55' ' ' VAL . 9.3 mt -135.15 112.47 10.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.08 130.82 48.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.812 HG13 ' HB2' ' A' ' 51' ' ' CYS . 3.0 p -115.15 134.57 57.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -152.98 134.43 4.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.812 ' HB2' HG13 ' A' ' 41' ' ' VAL . 97.7 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.65 HG22 HG13 ' A' ' 38' ' ' VAL . 8.1 m -151.31 151.33 31.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.84 HD13 ' CD2' ' A' ' 100' ' ' PHE . 1.1 pp -138.7 172.45 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.704 ' N ' HD12 ' A' ' 53' ' ' ILE . 3.1 mt-10 -121.19 137.53 54.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.791 HG22 HD12 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -71.09 156.26 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.404 HG22 ' C ' ' A' ' 99' ' ' GLU . 6.8 t -128.7 -43.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.071 . . . . 0.0 110.363 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -155.43 169.74 23.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.894 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.3 m -149.8 150.2 31.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.421 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.39 169.45 24.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.486 ' C ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -112.49 108.75 17.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.508 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -157.16 173.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 94' ' ' GLN . 1.1 m -70.78 -153.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.781 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.8 OUTLIER -101.54 -71.62 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.497 ' OD1' ' CE ' ' A' ' 69' ' ' LYS . 1.8 t0 -58.49 -8.76 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.364 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.467 HG23 ' HB ' ' A' ' 62' ' ' THR . 1.1 p -71.32 -8.3 52.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.572 HD13 ' HB ' ' A' ' 23' ' ' ILE . 2.0 pp -170.8 -40.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.922 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -42.05 154.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.4 -23.73 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.922 ' H ' HG23 ' A' ' 67' ' ' THR . 30.5 tttt -48.14 -30.29 4.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -75.86 -51.23 12.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.607 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.13 -52.6 62.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.651 ' HB3' HD21 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -64.17 -41.93 96.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.62 ' CA ' HD11 ' A' ' 81' ' ' LEU . 4.6 tt0 -48.43 -35.68 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.0 26.32 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.4 m-20 -147.5 -62.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.551 ' N ' ' O ' ' A' ' 72' ' ' GLU . 25.4 mmt -90.48 178.19 6.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.468 HG23 ' H ' ' A' ' 80' ' ' GLU . 8.0 t -85.71 -179.94 6.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.58 -38.19 70.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -55.36 34.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.468 ' H ' HG23 ' A' ' 77' ' ' THR . 1.5 mt-10 -54.15 -47.09 72.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.651 HD21 ' HB3' ' A' ' 72' ' ' GLU . 9.8 mt -58.33 -32.9 68.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.03 -35.08 71.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -54.06 32.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.71 HG12 ' HE2' ' A' ' 9' ' ' PHE . 4.7 m -62.72 -46.5 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.645 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.9 mm -55.3 -40.29 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.88 -26.18 62.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.618 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -81.16 -28.11 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.697 HG23 ' CG ' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -85.83 -57.54 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.697 ' CG ' HG23 ' A' ' 88' ' ' ILE . 2.9 p90 162.89 153.42 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.24 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.442 1.759 . . . . 0.0 111.039 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.501 ' O ' ' CD2' ' A' ' 63' ' ' LEU . . . 84.93 111.92 0.68 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.552 1.158 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.781 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -116.12 40.08 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.537 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 23.6 p -135.98 152.4 50.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.524 ' N ' HG23 ' A' ' 62' ' ' THR . 5.3 mt-30 -33.75 145.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' A' ' 93' ' ' THR . 8.4 m-85 -161.5 -178.14 6.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.61 134.08 36.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.887 HG13 ' O ' ' A' ' 24' ' ' THR . 74.7 t -119.14 130.3 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.894 HG23 ' OG1' ' A' ' 58' ' ' THR . 3.8 mm -120.4 123.43 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.916 ' CG ' HG23 ' A' ' 23' ' ' ILE . 11.3 tt0 -97.13 144.34 27.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.84 ' CD2' HD13 ' A' ' 53' ' ' ILE . 9.0 p90 -148.77 172.08 15.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.426 ' HE2' HD23 ' A' ' 103' ' ' LEU . 10.3 pttm -147.2 150.25 34.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.2 t -92.85 126.15 37.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.426 HD23 ' HE2' ' A' ' 101' ' ' LYS . 7.2 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.3 mtt . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.541 0.21 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -149.35 144.5 17.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.93 17.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.452 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 1.9 t-20 -88.0 159.51 18.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.508 ' OD2' ' CE2' ' A' ' 33' ' ' PHE . 5.4 m-20 -94.42 -53.63 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 1.046 HD12 ' NE ' ' A' ' 26' ' ' ARG . 10.1 tt -150.61 142.76 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.577 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 2.3 p -104.94 176.34 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.425 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.843 ' CD1' HG23 ' A' ' 41' ' ' VAL . 45.8 m-85 -162.19 117.46 1.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.606 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 6.8 t80 -37.41 155.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.411 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -49.37 -47.55 47.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.254 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.581 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 4.2 mtt180 -59.33 -47.97 83.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -65.01 -38.08 89.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -46.39 84.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -59.12 -48.58 81.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -36.49 74.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.3 mt -64.07 -45.27 97.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.487 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.16 -24.64 59.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.84 7.93 19.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 76.21 -120.27 5.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER 43.01 94.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 110.227 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.92 148.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.9 m -150.51 155.66 39.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.574 HG23 ' CB ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -96.46 155.93 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.915 ' O ' HG13 ' A' ' 97' ' ' VAL . 21.6 p -123.12 173.68 7.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.874 HG13 HG22 ' A' ' 97' ' ' VAL . 3.2 mp -136.53 129.38 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 1.046 ' NE ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -131.08 172.0 12.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.436 ' OD2' ' N ' ' A' ' 28' ' ' GLU . 16.6 t0 -108.65 129.72 55.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.436 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 2.3 tp10 -49.54 -44.49 46.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 t -60.89 -14.84 24.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' SER . 1.8 mt-10 -122.94 17.42 10.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.04 104.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.996 ' CD2' HH21 ' A' ' 26' ' ' ARG . 0.0 OUTLIER -85.29 -138.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.508 ' CE2' ' OD2' ' A' ' 5' ' ' ASP . 1.5 m-85 -54.54 -167.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.052 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.656 ' O ' HG21 ' A' ' 55' ' ' VAL . 12.6 mttt -138.55 -172.6 3.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.4 m -72.09 162.79 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.04 14.04 37.08 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.555 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -115.59 -170.12 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.661 HG13 HG22 ' A' ' 52' ' ' THR . 1.0 OUTLIER -105.27 143.55 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.504 HD12 HG22 ' A' ' 55' ' ' VAL . 17.3 mt -124.43 104.6 8.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.35 119.97 10.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.843 HG23 ' CD1' ' A' ' 8' ' ' PHE . 9.8 p -100.12 147.39 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.424 ' HA3' ' N ' ' A' ' 49' ' ' TYR . . . -172.8 147.37 9.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.407 ' CG ' ' HA ' ' A' ' 10' ' ' GLN . 2.4 ttm180 -77.17 135.0 38.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -71.33 -29.53 65.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -48.45 -48.49 37.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 164.93 43.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.05 15.32 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -38.99 156.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.54 ' CG ' ' O ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER 37.93 65.69 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 110.964 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.92 -43.48 7.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.6 m -138.14 174.82 10.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 108.307 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.661 HG22 HG13 ' A' ' 38' ' ' VAL . 1.3 m -120.43 142.46 49.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.717 HD13 ' CD1' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -130.57 172.66 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -124.72 142.8 51.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.656 HG21 ' O ' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -74.28 160.68 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.5 t -131.35 -41.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -154.13 169.29 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.984 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.9 m -146.15 151.3 37.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.376 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.2 169.37 24.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.952 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.478 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -115.75 108.45 16.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.37 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.496 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -156.24 172.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.481 ' HB ' HG23 ' A' ' 65' ' ' THR . 1.3 m -70.04 -153.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.9 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -100.54 -72.81 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.505 ' HA ' HG22 ' A' ' 67' ' ' THR . 2.5 t0 -56.33 -11.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.481 HG23 ' HB ' ' A' ' 62' ' ' THR . 1.2 p -68.17 -8.49 39.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.368 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.692 HD21 HG21 ' A' ' 97' ' ' VAL . 1.6 pp -170.51 -39.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.919 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.3 t -42.0 153.6 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.72 -23.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.966 ' HD2' HD11 ' A' ' 85' ' ' ILE . 63.5 tttt -49.03 -30.76 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -54.69 11.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.579 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.63 -36.1 69.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -72.37 -45.02 61.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.5 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -50.33 -36.57 32.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.14 27.94 4.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -147.34 -61.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.558 ' N ' ' O ' ' A' ' 72' ' ' GLU . 13.2 mmt -90.45 177.37 6.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 7.0 t -89.72 -175.37 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.437 ' N ' ' OG1' ' A' ' 77' ' ' THR . 4.9 mp -66.72 -38.86 87.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 49.7 m -56.07 -53.18 60.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.424 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.26 -43.83 92.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.504 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -58.9 -38.36 78.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -72.52 -29.22 63.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.338 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -52.96 28.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 81' ' ' LEU . 6.1 m -63.43 -44.04 98.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.966 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.8 mm -57.35 -40.34 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.27 -25.92 60.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.606 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -80.51 -28.13 37.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.635 ' O ' ' HB3' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -87.95 -57.54 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.635 ' HB3' ' O ' ' A' ' 88' ' ' ILE . 5.9 p90 162.33 150.83 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.92 17.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.8 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.15 119.8 1.78 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.9 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -116.05 53.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 110.27 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' GLN . 42.9 p -122.21 152.67 39.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.153 . . . . 0.0 110.436 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.435 ' N ' HG23 ' A' ' 62' ' ' THR . 9.9 mt-30 -37.68 150.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.496 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -161.43 -178.25 6.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -85.55 132.49 34.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.915 HG13 ' O ' ' A' ' 24' ' ' THR . 74.2 t -117.35 133.29 64.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.984 HG23 ' OG1' ' A' ' 58' ' ' THR . 2.6 mm -125.03 126.01 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.574 ' CB ' HG23 ' A' ' 23' ' ' ILE . 7.7 tt0 -96.0 146.95 24.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.377 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.717 ' CD1' HD13 ' A' ' 53' ' ' ILE . 5.2 p90 -147.98 166.33 28.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.84 152.1 46.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.3 t -91.47 108.66 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 108.294 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mmt . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.481 0.181 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -62.64 124.55 83.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.92 13.68 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.768 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 6' ' ' ILE . 18.3 t-20 -47.7 170.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.487 ' CG ' ' CE2' ' A' ' 33' ' ' PHE . 1.7 m-20 -94.18 -45.94 7.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.659 HD13 ' NH1' ' A' ' 26' ' ' ARG . 1.3 tt -163.41 139.29 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 2.6 p -101.49 174.85 5.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.397 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.544 ' CE1' HG12 ' A' ' 41' ' ' VAL . 55.7 m-85 -155.78 130.4 9.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.613 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 7.4 t80 -42.44 162.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.51 -53.18 49.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.577 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 7.4 mtp180 -50.05 -49.09 52.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 68' ' ' GLU . 4.2 m-85 -64.07 -40.11 95.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -49.63 75.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.628 ' HA ' HD23 ' A' ' 17' ' ' LEU . 2.9 t70 -59.38 -45.57 91.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.66 -39.1 64.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.505 HG12 ' CZ ' ' A' ' 100' ' ' PHE . 5.3 mt -67.73 -46.35 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.628 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.85 -25.02 62.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.87 -1.85 27.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.86 60.61 8.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.448 1.093 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -124.25 96.43 4.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 110.294 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -38.63 101.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.33 158.71 27.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.839 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -99.69 152.96 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.908 ' O ' HG13 ' A' ' 97' ' ' VAL . 64.1 p -118.72 175.1 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.595 HD11 ' CB ' ' A' ' 67' ' ' THR . 4.0 mp -127.32 140.36 49.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.659 ' NH1' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -141.39 171.75 13.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -107.98 134.21 51.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -55.77 -40.98 73.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.6 p -61.53 -14.77 32.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -119.06 9.29 11.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.26 114.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.412 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -108.86 -135.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.589 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.487 ' CE2' ' CG ' ' A' ' 5' ' ' ASP . 40.6 m-85 -47.88 177.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.571 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -132.44 -164.64 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.3 m -71.23 149.06 46.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.09 -15.39 44.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.638 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -86.26 -169.4 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.712 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -108.83 147.38 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.7 mt -127.8 109.13 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.532 ' HG3' HG23 ' A' ' 52' ' ' THR . 6.6 ttt85 -75.75 122.16 23.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.544 HG12 ' CE1' ' A' ' 8' ' ' PHE . 7.0 m -95.05 124.07 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 7' ' ' THR . . . -135.55 121.79 2.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.429 ' HB3' ' N ' ' A' ' 48' ' ' GLY . 10.4 ttp180 -62.76 157.55 20.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 110.254 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.409 ' C ' ' N ' ' A' ' 46' ' ' ASP . 3.1 t80 -80.37 -47.22 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -39.11 -31.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.314 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 2.3 p-10 177.23 -35.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER 164.75 -21.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.429 ' N ' ' HB3' ' A' ' 43' ' ' ARG . . . 42.15 -134.38 3.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.543 ' CG ' ' O ' ' A' ' 49' ' ' TYR . 56.5 t80 -70.26 57.52 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 0.775 . . . . 0.0 110.984 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.59 ' O ' ' CD2' ' A' ' 50' ' ' PHE . 39.6 p90 -54.0 111.09 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.04 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 35.9 m -150.64 -174.15 4.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 108.323 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.712 HG22 HG13 ' A' ' 38' ' ' VAL . 1.5 m -124.4 151.75 44.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.609 HD11 ' CG ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -143.99 172.05 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -114.14 150.86 33.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.3 OUTLIER -76.24 154.04 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.352 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.425 HG22 ' N ' ' A' ' 100' ' ' PHE . 4.5 t -123.36 -41.09 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.381 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.64 169.71 23.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.951 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.2 m -148.4 149.46 31.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.58 167.84 29.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.051 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.533 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -112.0 110.72 21.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 60' ' ' THR . 0.2 OUTLIER -157.11 171.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.556 HG23 ' N ' ' A' ' 94' ' ' GLN . 1.4 m -68.18 -153.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.392 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.707 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -100.47 -71.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.433 ' HA ' HG22 ' A' ' 67' ' ' THR . 5.5 t0 -57.25 -9.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.453 ' OG1' ' C ' ' A' ' 62' ' ' THR . 1.2 p -71.66 -5.45 33.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.961 HD12 ' N ' ' A' ' 67' ' ' THR . 3.6 pp -172.54 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.961 ' N ' HD12 ' A' ' 66' ' ' LEU . 1.2 t -42.83 153.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -49.13 -23.6 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.423 1.077 . . . . 0.0 110.264 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.943 ' H ' HG23 ' A' ' 67' ' ' THR . 37.7 tttt -48.2 -32.41 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -67.63 -54.79 16.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.638 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.51 -38.32 71.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -69.61 -44.83 69.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.537 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -51.02 -35.03 32.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.63 28.75 4.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.403 ' HB3' ' HE3' ' A' ' 76' ' ' MET . 3.6 t-20 -148.11 -59.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.513 ' N ' ' O ' ' A' ' 72' ' ' GLU . 27.8 mmt -90.53 177.59 6.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.518 ' O ' HD23 ' A' ' 81' ' ' LEU . 8.1 t -92.89 171.67 8.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -38.05 66.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.489 ' HB ' HG23 ' A' ' 77' ' ' THR . 0.9 OUTLIER -56.25 -57.76 10.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.411 ' OE1' ' SD ' ' A' ' 76' ' ' MET . 3.2 mt-10 -56.38 -46.26 80.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.537 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -54.45 -37.91 65.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -31.35 65.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -53.37 37.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.481 HG12 ' HE2' ' A' ' 9' ' ' PHE . 5.3 m -62.9 -43.92 99.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.942 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.5 mm -57.05 -39.19 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.19 -26.61 60.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.613 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -80.08 -27.61 39.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.632 HG23 ' CG ' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -88.36 -57.64 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.632 ' CG ' HG23 ' A' ' 88' ' ' ILE . 7.7 p90 165.11 148.02 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.3 Cg_endo -75.01 -179.26 4.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.81 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.62 113.95 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.707 ' HA ' HD21 ' A' ' 63' ' ' LEU . 2.9 tm0? -110.2 88.68 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.49 ' C ' HG23 ' A' ' 62' ' ' THR . 15.1 p -149.48 152.6 35.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.556 ' N ' HG23 ' A' ' 62' ' ' THR . 4.7 mt-30 -34.71 144.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.516 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -161.9 -178.75 6.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 111.006 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.468 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.1 OUTLIER -79.29 141.88 36.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.908 HG13 ' O ' ' A' ' 24' ' ' THR . 61.2 t -128.98 134.93 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.951 HG23 ' OG1' ' A' ' 58' ' ' THR . 4.9 mm -127.56 128.67 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.839 ' CG ' HG23 ' A' ' 23' ' ' ILE . 14.0 tt0 -96.17 153.74 17.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.586 1.179 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.609 ' CG ' HD11 ' A' ' 53' ' ' ILE . 6.7 p90 -143.18 174.16 10.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -152.51 148.51 27.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.5 t -92.68 130.62 38.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 108.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.0 mtt . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.49 0.186 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 179.78 81.33 0.19 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 170.9 19.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.435 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 2.8 t30 -109.66 159.26 17.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.435 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 3.1 m-20 -93.43 -53.08 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.518 HG21 ' NH2' ' A' ' 26' ' ' ARG . 14.6 tt -164.04 164.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.586 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -138.9 167.85 21.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.634 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -154.18 162.2 41.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.638 ' CD2' HD12 ' A' ' 88' ' ' ILE . 7.7 p90 -40.23 163.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -37.06 84.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 7.5 mtp-105 -52.65 -19.82 2.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.624 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -79.6 -42.04 25.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -42.14 94.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -69.4 -47.66 63.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -62.73 -31.77 72.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.4 mt -66.89 -47.0 83.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.469 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -57.73 -24.68 58.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.33 1.28 25.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 75.46 -130.98 11.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER 42.96 94.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -37.94 152.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -144.22 145.74 32.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.82 HG23 ' CB ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -95.39 159.2 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.902 ' O ' HG13 ' A' ' 97' ' ' VAL . 73.1 p -128.43 171.87 11.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.901 HG13 HG22 ' A' ' 97' ' ' VAL . 5.2 mp -127.78 129.46 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.518 ' NH2' HG21 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -125.14 171.78 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' SER . 6.2 t0 -96.09 129.67 43.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.403 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 6.7 tp10 -47.41 -47.53 26.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -60.74 -23.17 64.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.955 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 27' ' ' ASP . 9.5 mm-40 -121.56 28.29 7.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.506 ' OG ' ' CD2' ' A' ' 96' ' ' TYR . 0.1 OUTLIER -114.73 93.7 4.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -149.66 114.99 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.532 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -176.41 -147.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.07 149.34 15.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.7 m -71.3 158.96 35.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.2 -14.67 48.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.556 ' O ' HG23 ' A' ' 55' ' ' VAL . 4.3 m-20 -73.95 -175.81 2.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.767 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -105.21 137.25 35.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' ILE . 12.5 mt -117.22 103.98 10.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 128.61 36.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.567 HG23 ' CD1' ' A' ' 8' ' ' PHE . 7.4 p -118.45 160.57 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.97 -122.18 0.59 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.84 127.36 20.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 87' ' ' ASP . 2.7 t80 -74.46 -25.21 59.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -49.03 -48.06 44.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER 169.66 -34.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -39.89 -57.57 1.57 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 49' ' ' TYR . . . 86.27 -158.39 31.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.546 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -32.27 140.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 111.014 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -154.83 -44.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 35.2 m -137.41 -177.74 4.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 108.29 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 m -133.79 153.87 51.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.692 HD12 ' CE1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -142.77 173.02 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 100' ' ' PHE . 4.0 tt0 -124.98 144.43 50.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 0.0 110.27 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -74.25 150.92 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.419 HG22 ' C ' ' A' ' 99' ' ' GLU . 4.9 t -127.42 -44.19 1.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.85 169.26 23.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.829 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.8 m -144.55 150.54 37.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.46 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.28 168.25 27.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.495 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -115.78 110.57 19.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.509 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.28 173.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.465 ' HB ' HG23 ' A' ' 65' ' ' THR . 1.3 m -67.83 -153.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.457 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -100.26 -71.52 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.446 ' HA ' HG22 ' A' ' 67' ' ' THR . 5.5 t0 -57.9 -9.52 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.465 HG23 ' HB ' ' A' ' 62' ' ' THR . 1.2 p -70.74 -6.6 38.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.366 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.708 HD21 HG21 ' A' ' 97' ' ' VAL . 2.4 pp -171.69 -40.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.93 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -42.6 153.78 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.369 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -47.68 -23.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.93 ' H ' HG23 ' A' ' 67' ' ' THR . 28.7 tttt -49.38 -29.63 6.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -72.26 -54.48 9.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.82 76.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.504 ' HB3' HD21 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -65.07 -43.36 92.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.622 ' N ' HD11 ' A' ' 81' ' ' LEU . 6.9 tt0 -49.8 -36.66 27.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.1 30.07 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -148.5 -59.45 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 72' ' ' GLU . 22.7 mmt -90.55 177.99 6.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.482 HG23 ' H ' ' A' ' 80' ' ' GLU . 1.3 t -86.13 176.05 8.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.433 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.464 ' N ' ' OG1' ' A' ' 77' ' ' THR . 8.0 mp -66.12 -37.52 85.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -56.77 -51.93 67.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.482 ' H ' HG23 ' A' ' 77' ' ' THR . 2.3 mt-10 -58.78 -47.78 83.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.622 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -56.77 -38.54 72.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -28.91 64.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -52.65 33.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 81' ' ' LEU . 4.6 m -65.21 -44.35 95.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.928 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.6 mm -56.31 -41.25 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.73 -29.75 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.606 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -76.13 -26.51 56.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.64 HG23 ' CG ' ' A' ' 89' ' ' TYR . 0.8 OUTLIER -92.75 -57.74 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.64 ' CG ' HG23 ' A' ' 88' ' ' ILE . 1.9 p90 160.26 162.18 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 91' ' ' GLY . 18.1 Cg_endo -75.05 -90.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.811 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 90' ' ' PRO . . . 32.88 91.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.43 ' C ' ' CG2' ' A' ' 93' ' ' THR . 0.0 OUTLIER -101.21 49.51 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.572 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 20.0 p -150.46 152.42 34.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 110.355 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.2 tt0 -36.21 150.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.572 ' CD2' ' O ' ' A' ' 93' ' ' THR . 10.5 m-85 -159.02 -178.52 7.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.506 ' CD2' ' OG ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -78.63 149.16 32.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.902 HG13 ' O ' ' A' ' 24' ' ' THR . 74.0 t -136.45 130.27 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.829 HG23 ' OG1' ' A' ' 58' ' ' THR . 4.4 mm -123.2 127.27 74.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.82 ' CB ' HG23 ' A' ' 23' ' ' ILE . 12.4 tt0 -95.84 147.18 23.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.692 ' CE1' HD12 ' A' ' 53' ' ' ILE . 3.4 p90 -148.26 165.06 32.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -131.42 154.81 48.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 9.1 t -91.76 105.28 17.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.519 0.199 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.89 130.82 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.85 13.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 2.4 t-20 -102.0 158.06 16.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 3.7 m-20 -94.6 -52.18 4.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.812 HD12 ' NH1' ' A' ' 26' ' ' ARG . 14.7 tt -151.1 141.8 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.582 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.9 p -101.36 171.48 7.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.441 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.958 ' CD2' HG23 ' A' ' 41' ' ' VAL . 57.7 m-85 -162.21 123.1 2.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.614 ' CE1' ' OD1' ' A' ' 87' ' ' ASP . 7.5 t80 -52.38 161.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.421 ' HA ' ' CG ' ' A' ' 43' ' ' ARG . 1.8 tt0 -50.34 -48.12 55.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.571 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 6.6 mtp180 -54.29 -49.06 70.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 68' ' ' GLU . 6.8 m-85 -63.06 -39.14 93.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.508 ' OE1' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -60.08 -48.95 79.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -58.3 -45.74 87.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -28.76 70.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 100' ' ' PHE . 19.7 mt -71.5 -46.42 63.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.647 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.52 -24.58 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.37 -5.93 47.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.25 45.99 94.52 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -107.13 100.71 10.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.756 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -38.8 102.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -120.65 150.36 41.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.61 ' H ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -95.86 160.36 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.845 ' O ' HG13 ' A' ' 97' ' ' VAL . 64.7 p -131.28 173.75 10.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.737 HG13 HG22 ' A' ' 97' ' ' VAL . 4.7 mp -129.81 137.64 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.812 ' NH1' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -135.72 171.15 14.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.578 ' HA ' ' CE1' ' A' ' 95' ' ' PHE . 17.4 t0 -97.35 129.71 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -50.18 -45.13 53.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.0 p -57.22 -17.53 11.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.026 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -129.18 16.91 6.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -107.2 95.22 5.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -148.78 114.11 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.589 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -179.14 -146.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 111.052 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.84 151.51 23.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.0 m -73.85 165.35 25.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.69 14.41 72.58 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -104.17 -170.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.774 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.687 HG13 ' CG2' ' A' ' 52' ' ' THR . 1.2 t -100.83 149.85 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.606 HD12 HG22 ' A' ' 55' ' ' VAL . 15.2 mt -135.59 103.41 5.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.75 127.85 27.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.958 HG23 ' CD2' ' A' ' 8' ' ' PHE . 7.2 p -116.83 144.57 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' A' ' 48' ' ' GLY . . . -173.17 146.09 8.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.473 ' CB ' ' HB2' ' A' ' 47' ' ' ASP . 2.1 ttp180 -75.91 126.99 32.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 110.251 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -63.19 -27.78 69.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -44.94 -48.47 11.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.27 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER 159.21 46.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.473 ' HB2' ' CB ' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -100.27 -50.3 3.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.494 ' O ' ' C ' ' A' ' 49' ' ' TYR . . . 83.92 -153.56 29.74 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' CYS . 81.3 t80 -29.98 -46.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 0.72 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.511 ' CD1' ' SG ' ' A' ' 51' ' ' CYS . 3.0 t80 51.9 -86.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.511 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 47.1 m -148.82 -175.36 4.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 108.326 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.687 ' CG2' HG13 ' A' ' 38' ' ' VAL . 77.3 m -132.62 151.53 51.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.624 HD12 ' CD1' ' A' ' 100' ' ' PHE . 3.8 pt -132.52 173.31 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -117.27 144.34 44.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -71.31 156.01 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.4 HG22 ' C ' ' A' ' 99' ' ' GLU . 14.4 t -127.8 -42.55 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -160.59 169.15 23.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.954 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.2 m -149.17 151.76 34.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.3 168.68 26.57 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.165 . . . . 0.0 110.058 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.509 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -111.99 106.54 15.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.394 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.524 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.08 172.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.502 HG23 ' N ' ' A' ' 94' ' ' GLN . 0.4 OUTLIER -67.89 -152.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.427 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.701 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -103.64 -70.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.46 ' HA ' HG22 ' A' ' 67' ' ' THR . 0.5 OUTLIER -56.69 -9.07 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.467 ' H ' ' C ' ' A' ' 63' ' ' LEU . 1.0 OUTLIER -74.85 -3.81 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.426 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.776 HD21 HG21 ' A' ' 97' ' ' VAL . 2.5 pp -172.4 -40.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.954 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -43.93 154.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -50.78 -22.66 2.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.954 ' H ' HG23 ' A' ' 67' ' ' THR . 70.7 tttt -48.77 -32.67 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -66.87 -54.86 18.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.606 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.99 -36.37 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.572 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -71.52 -45.1 63.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.47 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -49.79 -36.43 26.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.75 29.3 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -149.25 -60.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.572 ' N ' ' O ' ' A' ' 72' ' ' GLU . 28.4 mmt -90.82 177.88 6.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.447 ' O ' HD23 ' A' ' 81' ' ' LEU . 7.6 t -86.97 -174.5 4.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.439 ' N ' ' OG1' ' A' ' 77' ' ' THR . 4.3 mp -70.4 -38.93 74.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.4 -52.46 64.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.405 ' OE1' ' SD ' ' A' ' 76' ' ' MET . 2.8 mt-10 -57.14 -43.88 82.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.544 HD13 ' CG ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -57.97 -39.01 77.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -70.28 -31.0 68.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -66.12 -53.16 41.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 81' ' ' LEU . 8.8 m -61.92 -38.22 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.524 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -61.48 -37.76 78.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.3 -25.81 55.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.614 ' OD1' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -80.1 -30.03 39.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.626 HG23 ' CD2' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -84.3 -57.81 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.626 ' CD2' HG23 ' A' ' 88' ' ' ILE . 8.8 p90 166.39 145.73 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.4 Cg_endo -75.01 130.99 13.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.506 1.793 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 128.24 121.03 2.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.701 ' HA ' HD21 ' A' ' 63' ' ' LEU . 7.5 tm0? -115.79 72.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.249 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 94' ' ' GLN . 14.9 p -147.24 152.36 38.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.502 ' N ' HG23 ' A' ' 62' ' ' THR . 32.7 mt-30 -35.42 144.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.578 ' CE1' ' HA ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -161.36 -178.14 6.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.425 ' HD2' HD11 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -80.2 139.74 36.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.907 ' C ' HD13 ' A' ' 98' ' ' ILE . 71.8 t -125.3 129.49 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.954 HG23 ' OG1' ' A' ' 58' ' ' THR . 2.6 mm -122.6 130.77 74.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.528 ' CB ' HG23 ' A' ' 23' ' ' ILE . 1.6 tt0 -97.15 155.87 16.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' A' ' 53' ' ' ILE . 5.4 p90 -148.67 157.0 43.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.709 ' HE2' HD23 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -146.51 146.82 30.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.4 t -92.18 123.33 35.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 108.311 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.709 HD23 ' HE2' ' A' ' 101' ' ' LYS . 5.3 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.7 mtt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.511 0.196 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 64.76 156.8 0.12 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.93 13.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.431 1.753 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.442 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 1.6 t-20 -56.57 159.21 3.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.442 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 56.1 m-20 -99.28 -51.42 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.78 HD12 ' NE ' ' A' ' 26' ' ' ARG . 7.8 tt -139.65 143.95 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.598 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -107.71 166.76 10.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 7' ' ' THR . 8.3 m-85 -154.05 114.24 3.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.628 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 6.6 t80 -37.16 156.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.51 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -47.86 -51.59 22.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.579 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 19.9 mtp85 -54.36 -45.09 72.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.94 -39.26 93.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -48.38 81.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.457 ' HA ' HD23 ' A' ' 17' ' ' LEU . 7.2 t70 -60.16 -48.43 81.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -53.88 -36.81 63.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.24 -44.19 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.62 -26.94 64.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.47 7.79 18.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 75.85 -126.25 8.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER 41.66 93.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 0.787 . . . . 0.0 110.311 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.88 147.04 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.1 m -140.35 149.79 43.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.375 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.787 HG23 ' CB ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -96.91 156.45 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.909 ' O ' HG13 ' A' ' 97' ' ' VAL . 31.0 p -125.42 173.21 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.756 HG13 HG22 ' A' ' 97' ' ' VAL . 4.1 mp -132.68 135.56 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.78 ' NE ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -132.62 172.03 13.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 35.9 t0 -104.13 127.19 51.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -50.07 -40.04 44.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.405 ' OG ' ' CG ' ' A' ' 27' ' ' ASP . 90.6 p -60.95 -18.41 56.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -119.41 17.11 13.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -38.91 131.07 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.623 ' NE2' HD21 ' A' ' 39' ' ' LEU . 30.6 p-80 -114.59 -138.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.544 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 1.8 m-30 -62.2 -168.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -134.42 -164.74 1.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.3 m -74.25 148.86 41.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.432 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.31 -15.98 57.08 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -85.1 -169.71 2.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.53 HG13 ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -109.25 145.1 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.623 HD21 ' NE2' ' A' ' 32' ' ' HIS . 20.3 mt -126.77 109.29 11.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.538 ' HG2' ' CD1' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -69.94 114.41 8.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.4 p -86.75 147.03 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 48' ' ' GLY . . . -156.26 -134.44 1.81 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -157.18 145.2 19.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 0.815 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.542 ' CD2' ' O ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -76.34 -34.8 58.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.3 -49.28 34.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER 168.71 -35.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -38.52 -31.99 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.489 ' O ' ' CA ' ' A' ' 42' ' ' GLY . . . 43.86 -155.86 0.22 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.538 ' CD1' ' HG2' ' A' ' 40' ' ' ARG . 7.2 t80 -40.75 118.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.81 -38.57 2.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.5 m -149.72 -178.64 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 108.295 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.53 ' CG2' HG13 ' A' ' 38' ' ' VAL . 25.2 m -129.79 149.13 51.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.955 HD11 ' HB2' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -144.0 169.8 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.751 ' N ' HD12 ' A' ' 53' ' ' ILE . 3.6 tt0 -112.13 137.23 50.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -58.95 159.98 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.241 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.473 HG22 ' C ' ' A' ' 99' ' ' GLU . 8.9 t -123.99 -40.4 2.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.82 169.37 18.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.934 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.6 m -146.14 150.7 36.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.14 168.35 27.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.962 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.526 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -113.54 106.37 14.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.54 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -158.52 173.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.281 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.747 ' OG1' HG21 ' A' ' 65' ' ' THR . 0.2 OUTLIER -68.87 -153.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.515 ' O ' ' HB ' ' A' ' 67' ' ' THR . 0.6 OUTLIER -102.5 -67.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.451 ' OD1' ' CG ' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -64.68 -7.17 9.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.381 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.747 HG21 ' OG1' ' A' ' 62' ' ' THR . 0.7 OUTLIER -73.46 -6.83 48.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.76 HD12 ' N ' ' A' ' 67' ' ' THR . 4.1 pp -167.76 -46.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.928 HG23 ' H ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -43.38 150.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.4 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.69 -24.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.928 ' H ' HG23 ' A' ' 67' ' ' THR . 0.1 OUTLIER -46.6 -30.65 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 2.4 t-80 -63.11 -52.15 63.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.639 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.57 -43.48 84.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 76' ' ' MET . 6.6 tt0 -63.74 -43.42 96.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.506 ' N ' HD11 ' A' ' 81' ' ' LEU . 1.2 tt0 -53.77 -37.08 63.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.33 27.19 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -144.07 -60.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.546 ' N ' ' O ' ' A' ' 72' ' ' GLU . 14.0 mmt -90.66 177.32 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.447 HG23 ' HB ' ' A' ' 79' ' ' THR . 4.2 t -92.19 176.94 6.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.403 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.408 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.2 OUTLIER -61.64 -35.89 79.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.447 ' HB ' HG23 ' A' ' 77' ' ' THR . 1.2 m -56.56 -49.83 73.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.51 -49.64 68.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.506 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -53.41 -38.14 63.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -70.48 -37.68 74.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -52.79 63.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.511 HG12 ' CE2' ' A' ' 9' ' ' PHE . 17.2 m -64.8 -37.32 79.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.46 ' O ' HG22 ' A' ' 88' ' ' ILE . 1.2 mm -58.49 -36.84 61.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.7 -33.38 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.628 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -71.29 -31.98 68.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.645 HG23 ' CG ' ' A' ' 89' ' ' TYR . 0.5 OUTLIER -83.47 -57.38 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.645 ' CG ' HG23 ' A' ' 88' ' ' ILE . 8.3 p90 163.43 145.73 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 142.25 27.87 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 117.94 117.59 2.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.474 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -115.48 68.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.27 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.0 p -142.14 152.54 43.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.415 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.72 ' N ' HG23 ' A' ' 62' ' ' THR . 2.8 mt-30 -41.87 143.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.54 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -161.96 -177.62 5.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -73.62 142.49 46.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.964 ' C ' HD13 ' A' ' 98' ' ' ILE . 66.9 t -130.96 128.36 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.964 HD13 ' C ' ' A' ' 97' ' ' VAL . 1.9 mm -121.25 128.42 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.787 ' CB ' HG23 ' A' ' 23' ' ' ILE . 9.3 tt0 -95.28 139.14 32.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.955 ' HB2' HD11 ' A' ' 53' ' ' ILE . 24.4 p90 -138.13 152.63 48.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -159.24 155.7 27.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.6 t -91.03 128.04 36.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.7 mtt . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.483 0.182 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.41 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 1.2 tt0 177.72 63.69 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 2' ' ' GLN . 18.3 Cg_endo -74.9 173.33 14.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -72.42 174.88 6.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.82 -37.5 3.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.751 HD12 ' HD3' ' A' ' 26' ' ' ARG . 10.9 tt -162.78 139.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.4 p -106.97 168.26 9.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.405 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.562 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 65.2 m-85 -154.46 116.17 4.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.68 ' HE2' HG12 ' A' ' 84' ' ' VAL . 7.6 t80 -42.74 161.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -51.8 -54.05 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.549 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -49.86 -50.42 45.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -29.9 70.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.771 HE22 ' HB3' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -66.36 -48.19 70.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.952 ' HA ' HD23 ' A' ' 17' ' ' LEU . 12.0 t70 -62.2 -45.9 91.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -54.61 -43.33 72.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.0 mt -68.59 -41.46 82.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.952 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -59.91 -24.96 64.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.91 -3.91 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.99 76.01 0.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 21' ' ' LYS . 34.9 mtt180 -141.76 94.29 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 0.783 . . . . 0.0 110.328 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -38.68 101.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -119.18 159.32 24.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.858 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -96.79 153.66 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.898 ' O ' HG13 ' A' ' 97' ' ' VAL . 10.9 p -119.58 173.64 6.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.38 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.818 HG13 HG22 ' A' ' 97' ' ' VAL . 4.7 mp -132.28 138.78 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.751 ' HD3' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -139.66 172.23 13.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 31' ' ' SER . 12.9 t0 -99.78 130.1 45.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.416 ' OE2' ' CA ' ' A' ' 28' ' ' GLU . 2.7 tp10 -48.47 -44.6 35.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -56.08 -20.54 17.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.992 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -130.2 20.3 5.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -107.08 102.48 11.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -156.18 114.79 3.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -179.53 -160.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -149.49 157.98 43.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.7 m -75.59 157.11 34.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.73 -14.11 44.03 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.582 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 1.3 m-20 -75.86 -173.94 2.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.766 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -104.56 147.55 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' ' 53' ' ' ILE . 12.0 mt -126.28 116.06 20.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 115.91 9.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 51' ' ' CYS . 1.5 m -105.6 132.8 51.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.66 -158.48 8.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.445 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -137.64 144.17 41.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 110.252 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 87' ' ' ASP . 9.0 t80 -75.43 -30.79 60.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -48.7 -49.23 38.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -179.74 -61.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.3 18.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -37.9 141.1 0.39 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.771 ' HB3' HE22 ' A' ' 13' ' ' GLN . 50.7 t80 39.73 -91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.527 ' N ' ' O ' ' A' ' 48' ' ' GLY . 0.3 OUTLIER 68.78 109.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.577 ' SG ' ' CZ ' ' A' ' 49' ' ' TYR . 86.7 m -152.28 -169.39 3.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 108.278 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.766 HG22 HG13 ' A' ' 38' ' ' VAL . 1.3 m -119.03 141.73 48.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.389 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.794 HD12 ' N ' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -132.75 171.96 17.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.794 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.3 tt0 -118.3 145.94 44.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -74.2 158.03 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.451 HG22 ' C ' ' A' ' 99' ' ' GLU . 5.5 t -129.52 -41.65 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -159.81 169.51 23.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.969 ' OG1' HG23 ' A' ' 98' ' ' ILE . 2.0 m -144.15 151.03 38.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.14 169.98 23.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.95 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.498 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -115.99 107.77 15.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.442 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.508 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.13 170.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.531 HG23 ' N ' ' A' ' 94' ' ' GLN . 1.4 m -70.29 -154.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.933 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -99.36 -73.44 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.525 ' HA ' HG22 ' A' ' 67' ' ' THR . 4.8 t0 -54.35 -12.34 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.472 ' OG1' ' C ' ' A' ' 62' ' ' THR . 1.3 p -68.98 -5.79 23.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.38 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.621 ' HB2' HD13 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -173.73 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.97 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.3 t -42.11 157.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.438 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -22.46 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.97 ' H ' HG23 ' A' ' 67' ' ' THR . 46.7 tttm -45.62 -44.62 13.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -63.28 -46.46 86.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.612 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.09 -48.62 70.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.636 ' CB ' HD21 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -66.01 -43.48 87.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -34.38 9.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.13 28.12 4.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.323 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.6 m120 -152.98 -62.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.577 ' N ' ' O ' ' A' ' 72' ' ' GLU . 15.4 mmt -90.49 178.58 6.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 8.5 t -88.62 -176.24 5.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.413 ' N ' ' OG1' ' A' ' 77' ' ' THR . 6.9 mp -71.09 -38.46 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -55.94 -54.35 45.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.54 -45.17 73.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.636 HD21 ' CB ' ' A' ' 72' ' ' GLU . 7.9 mt -59.59 -33.37 71.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -33.53 70.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.15 -52.82 30.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.68 HG12 ' HE2' ' A' ' 9' ' ' PHE . 4.4 m -63.88 -43.22 97.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.915 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.1 mm -57.77 -40.26 74.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.58 -25.16 59.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.609 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -81.11 -27.3 35.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.63 HG23 ' CD2' ' A' ' 89' ' ' TYR . 1.2 tt -89.08 -57.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.63 ' CD2' HG23 ' A' ' 88' ' ' ILE . 7.9 p90 166.88 147.88 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.3 Cg_endo -75.05 -172.46 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.25 117.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.933 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -115.41 55.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.325 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.435 ' C ' HG23 ' A' ' 62' ' ' THR . 10.0 p -128.01 152.92 47.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.414 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.531 ' N ' HG23 ' A' ' 62' ' ' THR . 34.6 mt-30 -36.11 147.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.508 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -160.62 -179.23 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.09 131.31 35.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.898 HG13 ' O ' ' A' ' 24' ' ' THR . 73.2 t -116.98 129.85 72.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.969 HG23 ' OG1' ' A' ' 58' ' ' THR . 2.8 mm -121.09 126.88 75.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.858 ' CG ' HG23 ' A' ' 23' ' ' ILE . 12.5 tt0 -97.27 147.39 24.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.643 ' HB2' HD13 ' A' ' 53' ' ' ILE . 4.4 p90 -148.65 166.07 29.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -141.36 149.65 41.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.11 -173.74 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 108.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.4 mtt . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.521 0.201 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.524 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -88.09 -57.93 0.28 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 2' ' ' GLN . 18.4 Cg_endo -74.98 177.53 8.46 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -79.78 175.25 10.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.77 -46.78 6.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.608 HG21 HD22 ' A' ' 39' ' ' LEU . 2.8 tt -156.83 139.13 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.615 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 2.0 p -103.09 169.86 8.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.627 ' CE1' HG22 ' A' ' 41' ' ' VAL . 15.5 m-85 -151.74 130.84 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.62 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 9.6 t80 -46.07 164.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -54.06 -63.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.575 1.172 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.528 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -49.22 -37.38 22.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.686 ' CE1' HG21 ' A' ' 22' ' ' THR . 0.8 OUTLIER -62.93 -42.23 99.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.612 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -63.87 -45.18 90.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.639 ' HA ' HD23 ' A' ' 17' ' ' LEU . 10.9 t70 -57.18 -46.32 82.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.36 -45.75 87.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 13' ' ' GLN . 26.0 mt -58.71 -43.01 86.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.639 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.16 -25.35 61.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.98 8.29 18.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.7 65.59 3.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -127.54 96.73 4.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.304 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' CG ' ' HB2' ' A' ' 101' ' ' LYS . 0.7 OUTLIER -37.73 109.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.686 HG21 ' CE1' ' A' ' 12' ' ' PHE . 89.9 m -115.65 141.85 47.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.753 HG23 ' CB ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -95.15 163.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.845 ' O ' HG13 ' A' ' 97' ' ' VAL . 52.2 p -136.13 168.74 18.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.451 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.878 HG21 ' CE1' ' A' ' 95' ' ' PHE . 4.6 mp -129.08 138.02 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.764 HH21 ' CE1' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -133.03 171.84 13.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -103.62 127.77 51.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -52.45 -40.06 61.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -61.62 -14.06 27.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 31' ' ' SER . 8.6 mt-10 -121.76 14.24 10.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -36.22 119.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.764 ' CE1' HH21 ' A' ' 26' ' ' ARG . 5.8 p80 -112.02 -131.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.62 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.517 ' CE1' ' OD1' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -51.81 -170.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.652 ' O ' HG21 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -145.19 -165.08 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.6 m -77.39 148.01 35.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.89 -14.26 53.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.441 1.088 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.517 ' OD1' ' CE1' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -85.5 -168.66 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.605 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -107.14 148.22 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.608 HD22 HG21 ' A' ' 6' ' ' ILE . 20.8 mt -131.34 108.36 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.81 120.22 19.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.244 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.627 HG22 ' CE1' ' A' ' 8' ' ' PHE . 40.3 t -97.43 137.8 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 48' ' ' GLY . . . -137.03 -134.12 3.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.477 ' HB3' ' CB ' ' A' ' 47' ' ' ASP . 2.5 ttt-85 -159.17 131.53 6.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -31.03 67.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -47.76 -48.31 30.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.253 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.405 ' CG ' ' C ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER 163.69 -31.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 43' ' ' ARG . 0.4 OUTLIER -42.26 -48.84 5.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 49' ' ' TYR . . . 68.34 -151.73 51.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' GLY . 3.4 t80 -36.28 120.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.41 ' C ' ' SG ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -121.23 -57.04 1.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.41 ' SG ' ' C ' ' A' ' 50' ' ' PHE . 5.4 m -148.86 177.48 9.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 108.354 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.605 HG22 HG13 ' A' ' 38' ' ' VAL . 2.4 m -122.22 149.92 43.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.966 HD11 ' HB2' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -144.41 171.18 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.705 ' N ' HD12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -113.79 139.46 49.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.652 HG21 ' O ' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -60.15 157.07 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.421 HG21 ' CD ' ' A' ' 99' ' ' GLU . 10.6 t -121.22 -40.27 2.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.413 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.12 169.14 25.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.962 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.6 m -157.22 139.47 14.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.361 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.83 165.81 33.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.545 HG22 ' CD1' ' A' ' 96' ' ' TYR . 1.0 OUTLIER -99.25 116.02 30.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 110.388 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.525 HG22 ' C ' ' A' ' 60' ' ' THR . 0.0 OUTLIER -158.3 175.62 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.536 HG23 ' HG3' ' A' ' 94' ' ' GLN . 1.1 m -71.94 -153.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.845 HD13 HD11 ' A' ' 85' ' ' ILE . 1.2 pp -100.64 -69.88 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.547 ' N ' HD12 ' A' ' 63' ' ' LEU . 2.8 t0 -59.96 -8.16 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.462 HG23 ' HB ' ' A' ' 62' ' ' THR . 1.2 p -72.79 -7.46 50.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.656 HD13 ' HB ' ' A' ' 23' ' ' ILE . 3.8 pp -170.87 -41.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.947 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -41.87 153.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.0 -23.59 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.947 ' H ' HG23 ' A' ' 67' ' ' THR . 56.2 tttt -49.78 -30.28 9.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -71.31 -55.47 7.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.63 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.84 -36.39 69.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.674 ' OE2' HG11 ' A' ' 84' ' ' VAL . 2.7 tt0 -72.93 -44.48 61.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.483 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -49.77 -35.48 22.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.69 28.5 4.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -147.72 -62.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 72' ' ' GLU . 38.0 mmt -90.61 178.45 6.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.432 ' O ' HD23 ' A' ' 81' ' ' LEU . 7.6 t -86.84 -174.59 5.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.432 ' N ' ' OG1' ' A' ' 77' ' ' THR . 1.5 mp -71.4 -38.43 71.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 m -56.36 -57.33 12.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.1 -42.64 69.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.483 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -56.44 -41.06 75.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -68.11 -33.8 75.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -63.51 -53.78 46.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.247 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.674 HG11 ' OE2' ' A' ' 72' ' ' GLU . 5.8 m -64.75 -41.49 92.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.845 HD11 HD13 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -60.14 -36.4 67.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.37 -24.67 50.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.62 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -82.51 -28.04 31.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.671 HG23 ' CD2' ' A' ' 89' ' ' TYR . 1.1 tt -85.53 -57.81 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.671 ' CD2' HG23 ' A' ' 88' ' ' ILE . 14.3 p90 166.5 139.09 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.2 Cg_endo -75.07 175.66 10.95 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.47 124.42 2.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.47 70.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.658 ' O ' ' CE2' ' A' ' 95' ' ' PHE . 13.7 p -131.43 152.84 50.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.39 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.536 ' HG3' HG23 ' A' ' 62' ' ' THR . 5.2 mt-30 -69.0 146.92 52.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.878 ' CE1' HG21 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -163.0 -177.93 5.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.545 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.4 OUTLIER -65.0 151.46 45.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 1.015 ' C ' HD13 ' A' ' 98' ' ' ILE . 65.7 t -138.14 127.05 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.015 HD13 ' C ' ' A' ' 97' ' ' VAL . 1.3 mm -116.68 125.57 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.753 ' CB ' HG23 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -96.47 136.7 36.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.966 ' HB2' HD11 ' A' ' 53' ' ' ILE . 33.2 p90 -129.9 152.08 49.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.471 ' HB2' ' CG ' ' A' ' 21' ' ' LYS . 1.3 pttp -157.08 154.27 29.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.363 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.8 t -90.89 125.52 35.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 108.304 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.1 mtt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.536 0.208 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -169.24 114.23 0.52 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.63 12.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -59.74 172.7 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.75 -40.38 10.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.842 HD12 ' NH1' ' A' ' 26' ' ' ARG . 6.4 tt -164.05 149.68 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.618 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.1 p -114.56 161.1 18.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 7' ' ' THR . 1.9 m-85 -151.53 130.7 12.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.848 ' CZ ' ' CD2' ' A' ' 12' ' ' PHE . 3.6 p90 -50.47 178.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -64.45 -44.65 90.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.603 ' HD2' HG12 ' A' ' 84' ' ' VAL . 0.9 OUTLIER -50.87 -29.25 11.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.848 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -78.59 -35.29 45.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.731 ' HA ' HD23 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -71.19 -54.34 11.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -51.27 -52.05 48.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.6 mt -54.77 -45.19 73.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.0 -25.88 61.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.54 15.18 8.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 62.77 -126.1 36.42 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 44.09 94.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 0.728 . . . . 0.0 110.276 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -38.14 147.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.3 m -138.98 146.71 41.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.383 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.591 HG22 ' CG1' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -95.4 162.23 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.831 ' O ' HG13 ' A' ' 97' ' ' VAL . 67.0 p -145.14 171.08 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.738 HG13 HG22 ' A' ' 97' ' ' VAL . 4.1 mp -124.75 140.89 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.842 ' NH1' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -136.3 172.36 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 110.268 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -105.74 130.08 53.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.251 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -51.16 -39.43 56.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 p -64.72 -20.89 66.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 31' ' ' SER . 32.8 mt-10 -116.24 16.96 15.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.84 110.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.592 ' CE1' ' CD2' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -78.7 -136.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.619 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -70.94 -171.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.674 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -119.73 -171.37 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.4 m -75.28 147.61 40.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.5 -14.06 48.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -87.69 -170.08 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.5 HG13 HG22 ' A' ' 52' ' ' THR . 1.0 OUTLIER -108.03 147.45 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.592 ' CD2' ' CE1' ' A' ' 32' ' ' HIS . 24.5 mt -127.33 105.86 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.677 ' HG3' HG23 ' A' ' 52' ' ' THR . 0.1 OUTLIER -67.53 140.24 56.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -136.16 173.66 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' HA2' ' CB ' ' A' ' 50' ' ' PHE . . . -177.54 -114.75 0.41 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -139.35 127.92 23.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.488 ' CE1' ' O ' ' A' ' 87' ' ' ASP . 2.0 t80 -73.75 -25.02 59.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.03 -47.4 22.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 170.73 -33.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.78 -63.77 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' TYR . . . 58.2 155.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.408 ' O ' ' O ' ' A' ' 48' ' ' GLY . 10.3 t80 43.91 96.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.401 ' CB ' ' HA2' ' A' ' 42' ' ' GLY . 0.8 OUTLIER -136.17 -43.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.1 m -142.24 177.85 7.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.28 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.677 HG23 ' HG3' ' A' ' 40' ' ' ARG . 11.2 m -131.24 154.25 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.662 HD11 ' CG ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -142.6 171.89 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -117.94 154.1 32.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.233 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.674 HG21 ' O ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -80.86 159.1 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.409 HG22 ' C ' ' A' ' 99' ' ' GLU . 14.7 t -133.22 -44.04 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.35 168.35 24.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.81 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.4 m -156.39 142.94 18.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.408 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.82 166.31 33.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.515 HG22 ' CD1' ' A' ' 96' ' ' TYR . 0.8 OUTLIER -104.13 111.39 23.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.367 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.512 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -157.14 171.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.468 ' C ' ' OG1' ' A' ' 65' ' ' THR . 1.4 m -69.58 -153.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.715 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -99.46 -72.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.236 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.455 ' HA ' HG22 ' A' ' 67' ' ' THR . 1.9 t0 -56.82 -9.59 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.468 ' OG1' ' C ' ' A' ' 62' ' ' THR . 1.3 p -72.13 -4.76 30.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.723 HD21 HG21 ' A' ' 97' ' ' VAL . 3.3 pp -173.94 -39.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.921 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -43.4 155.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -23.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.921 ' H ' HG23 ' A' ' 67' ' ' THR . 29.1 tttt -46.97 -31.33 3.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -75.4 -51.78 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.565 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.74 -53.27 58.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.658 ' HB3' HD21 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -63.46 -42.43 98.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.564 ' CA ' HD11 ' A' ' 81' ' ' LEU . 8.3 tt0 -47.97 -35.95 11.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.09 30.26 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 72' ' ' GLU . 17.0 t-20 -151.58 -62.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.549 ' N ' ' O ' ' A' ' 72' ' ' GLU . 39.0 mmt -89.71 -179.82 5.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 t -89.51 -178.63 5.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.437 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.25 -35.15 71.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.92 -52.68 64.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.82 -47.33 82.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.658 HD21 ' HB3' ' A' ' 72' ' ' GLU . 9.7 mt -60.17 -31.88 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -71.02 -33.66 70.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -53.29 39.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.603 HG12 ' HD2' ' A' ' 11' ' ' ARG . 4.4 m -62.84 -42.32 95.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.802 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.0 OUTLIER -60.82 -36.92 74.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.76 -21.65 51.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.488 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -85.44 -27.74 25.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.813 HD12 ' HE2' ' A' ' 9' ' ' PHE . 1.9 tt -84.55 -57.75 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.653 ' CD2' HG23 ' A' ' 88' ' ' ILE . 11.8 p90 168.42 141.3 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.5 Cg_endo -74.97 152.83 41.38 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.03 122.16 3.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.715 ' HA ' HD21 ' A' ' 63' ' ' LEU . 5.0 tm0? -111.73 98.33 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.461 ' CG2' ' C ' ' A' ' 92' ' ' GLN . 17.0 p -151.84 151.87 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.426 ' N ' HG23 ' A' ' 62' ' ' THR . 11.0 mt-30 -41.07 141.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.512 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -161.73 -178.52 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.515 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.1 OUTLIER -77.24 140.77 40.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 111.019 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.831 HG13 ' O ' ' A' ' 24' ' ' THR . 79.7 t -125.56 132.29 71.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.81 HG23 ' OG1' ' A' ' 58' ' ' THR . 4.3 mm -125.52 121.71 60.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.532 ' CB ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -97.65 145.84 25.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.337 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.662 ' CG ' HD11 ' A' ' 53' ' ' ILE . 2.0 p90 -148.47 165.23 31.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.61 ' HE3' HD23 ' A' ' 103' ' ' LEU . 2.2 pttt -135.81 155.88 49.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.8 t -91.24 124.41 35.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 108.253 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.61 HD23 ' HE3' ' A' ' 101' ' ' LYS . 2.3 pp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.521 0.201 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.406 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -59.69 138.97 89.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 2' ' ' GLN . 18.3 Cg_endo -75.03 172.15 16.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.37 155.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.462 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 1.3 m-20 -90.06 -45.53 9.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.75 HG21 ' HG ' ' A' ' 39' ' ' LEU . 2.8 tt -154.4 141.67 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.53 156.51 17.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 1.068 ' CE1' HG12 ' A' ' 41' ' ' VAL . 83.3 m-85 -144.27 113.85 7.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.606 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 8.1 t80 -39.28 160.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -49.33 -54.72 15.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.54 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 35.4 mtp85 -51.28 -41.53 60.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 68' ' ' GLU . 11.2 m-85 -71.73 -32.06 67.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -46.03 75.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.91 ' HA ' HD23 ' A' ' 17' ' ' LEU . 5.3 t0 -65.06 -50.99 64.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.14 -48.18 61.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' ' 12' ' ' PHE . 45.2 mt -62.12 -44.16 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.91 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.99 -28.62 66.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.77 11.9 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 80.63 -126.01 7.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER 42.77 93.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' CD ' ' OE2' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -43.0 158.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.5 m -152.01 152.58 32.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.927 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -102.11 148.07 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.909 ' O ' HG13 ' A' ' 97' ' ' VAL . 15.1 p -115.1 174.59 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.931 HG13 HG22 ' A' ' 97' ' ' VAL . 4.6 mp -135.93 122.79 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.792 HH21 ' H ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -122.36 171.87 8.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.577 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 10.7 t0 -98.04 128.52 44.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.41 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 8.4 tp10 -54.34 -41.93 69.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -63.04 -12.99 30.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' SER . 4.6 mm-40 -120.06 8.66 11.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.245 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -36.57 107.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.416 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -108.11 -132.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.568 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 5' ' ' ASP . 39.6 m-85 -41.54 164.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.539 ' O ' HG21 ' A' ' 55' ' ' VAL . 11.3 mttt -131.85 -167.83 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m -68.22 141.11 56.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.68 -13.81 66.5 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.635 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -88.4 -171.25 3.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 0.793 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.678 HG13 HG22 ' A' ' 52' ' ' THR . 1.0 OUTLIER -106.54 149.72 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.75 ' HG ' HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -123.38 103.68 8.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.429 ' HG3' HG23 ' A' ' 52' ' ' THR . 2.7 ttm180 -71.67 119.92 16.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 1.068 HG12 ' CE1' ' A' ' 8' ' ' PHE . 28.7 m -106.0 135.06 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 48' ' ' GLY . . . -131.94 -131.9 3.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -157.78 127.82 6.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -68.45 -29.26 67.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -48.95 -48.72 42.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 0.3 OUTLIER 162.03 -29.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.73 -43.42 18.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.483 ' O ' ' CA ' ' A' ' 42' ' ' GLY . . . 69.55 -151.45 50.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 48' ' ' GLY . 15.9 t80 -36.51 122.7 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.409 ' C ' ' SG ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -117.5 -56.29 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.409 ' SG ' ' C ' ' A' ' 50' ' ' PHE . 8.5 m -149.26 177.83 9.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 108.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.678 HG22 HG13 ' A' ' 38' ' ' VAL . 1.7 m -121.33 143.8 48.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.648 ' CD1' ' CG ' ' A' ' 100' ' ' PHE . 4.8 pt -133.95 173.21 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -118.64 149.75 40.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -72.38 158.07 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.441 ' CB ' ' HG3' ' A' ' 101' ' ' LYS . 5.8 t -127.09 -42.47 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -156.12 169.82 23.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.755 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.9 m -147.42 150.89 35.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.61 169.97 23.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.509 HG22 ' CD1' ' A' ' 96' ' ' TYR . 0.4 OUTLIER -113.7 103.76 11.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.371 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 60' ' ' THR . 0.2 OUTLIER -156.25 172.5 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.75 HG23 ' N ' ' A' ' 94' ' ' GLN . 0.2 OUTLIER -71.58 -153.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.793 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.6 OUTLIER -101.14 -69.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.457 ' HA ' HG22 ' A' ' 67' ' ' THR . 5.4 t0 -57.53 -9.76 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.447 ' H ' ' C ' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -75.29 -1.38 23.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.446 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.722 HD21 HG21 ' A' ' 97' ' ' VAL . 2.0 pp -174.27 -41.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.915 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -42.71 153.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.436 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 3.4 mt-10 -48.66 -23.57 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.927 ' HD2' HD11 ' A' ' 85' ' ' ILE . 18.8 tttm -49.14 -29.97 6.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -70.23 -54.76 11.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.563 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.19 74.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.85 ' OE1' HG11 ' A' ' 84' ' ' VAL . 2.8 tt0 -71.11 -43.72 67.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.488 ' N ' HD11 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -50.66 -38.41 46.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -96.94 27.55 3.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -145.15 -62.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.514 ' N ' ' O ' ' A' ' 72' ' ' GLU . 14.4 mmt -91.0 177.07 6.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 1.5 t -86.36 176.81 7.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.1 OUTLIER -64.03 -38.93 92.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.39 -57.17 13.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.449 ' H ' HG23 ' A' ' 77' ' ' THR . 1.7 mt-10 -53.68 -44.8 70.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.34 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.488 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -55.51 -39.87 71.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -69.61 -32.14 70.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -53.05 46.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.85 HG11 ' OE1' ' A' ' 72' ' ' GLU . 4.5 m -66.3 -41.04 88.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.927 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.8 mm -60.82 -38.62 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.99 -23.95 52.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.606 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -82.88 -27.16 30.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.6 HG23 ' CD2' ' A' ' 89' ' ' TYR . 1.9 tt -88.18 -57.37 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.6 ' CD2' HG23 ' A' ' 88' ' ' ILE . 8.6 p90 168.62 146.57 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -169.7 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.25 112.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.793 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -115.38 81.69 1.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.468 ' CG2' ' C ' ' A' ' 92' ' ' GLN . 18.6 p -152.06 152.75 32.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.438 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.75 ' N ' HG23 ' A' ' 62' ' ' THR . 4.8 mt-30 -34.93 144.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.577 ' CD1' ' HA ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -161.5 -178.69 6.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.509 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -85.67 121.75 28.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.931 HG22 HG13 ' A' ' 25' ' ' ILE . 73.0 t -101.42 137.27 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.902 HD13 ' O ' ' A' ' 97' ' ' VAL . 4.5 mm -128.35 121.73 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.927 ' CG ' HG23 ' A' ' 23' ' ' ILE . 15.2 tt0 -95.47 154.82 17.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.648 ' CG ' ' CD1' ' A' ' 53' ' ' ILE . 4.8 p90 -145.85 160.87 41.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.441 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 20.0 mttt -129.11 147.59 50.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.6 t -92.15 124.44 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 108.295 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.295 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.6 mtt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.49 0.186 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.498 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 1.8 tp60 -173.28 59.8 0.24 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.498 ' HD3' ' N ' ' A' ' 2' ' ' GLN . 18.3 Cg_endo -74.92 173.65 14.11 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -62.26 179.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.456 ' HB3' HD23 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -73.77 -50.07 22.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.71 HD12 ' NE ' ' A' ' 26' ' ' ARG . 13.4 tt -164.03 143.4 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.613 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.7 p -112.36 169.77 8.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.385 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.726 ' CE1' HG12 ' A' ' 41' ' ' VAL . 5.3 m-85 -157.62 149.3 21.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.625 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 10.7 t80 -76.54 160.21 29.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.427 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.8 OUTLIER -48.41 -47.55 37.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.584 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 27.5 mtp85 -61.86 -45.44 93.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.449 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.9 OUTLIER -61.21 -36.22 79.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' CD ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.29 -46.77 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.11 -45.21 83.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 46.0 t0 -60.07 -43.66 95.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.449 HD11 ' CD1' ' A' ' 12' ' ' PHE . 58.4 mt -61.4 -42.97 95.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.766 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.42 -24.92 61.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -76.81 -1.21 27.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.92 69.81 1.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -137.3 94.84 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -37.45 102.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 m -110.36 155.48 22.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.617 HG22 ' CG1' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -95.51 162.62 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.941 ' O ' HG13 ' A' ' 97' ' ' VAL . 21.7 p -141.1 170.78 15.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.777 HG13 HG22 ' A' ' 97' ' ' VAL . 4.1 mp -128.24 136.87 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.71 ' NE ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -132.25 171.93 13.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 31' ' ' SER . 23.6 t0 -95.8 127.93 42.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -49.41 -39.84 34.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.5 p -61.5 -16.86 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ASP . 4.8 mt-10 -132.84 17.94 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -106.8 89.87 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -147.27 113.94 6.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.588 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.18 -158.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -145.54 157.58 43.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.6 m -76.8 160.61 29.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.01 -14.53 43.16 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 55' ' ' VAL . 3.2 m-20 -74.9 -173.64 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.61 HG13 ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -105.86 148.71 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.581 ' O ' HG13 ' A' ' 41' ' ' VAL . 13.5 mt -127.26 106.36 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.4 129.6 41.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.726 HG12 ' CE1' ' A' ' 8' ' ' PHE . 1.8 m -132.17 -178.14 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' ' CD ' ' A' ' 13' ' ' GLN . . . 169.26 -80.32 0.1 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -176.7 134.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.602 ' CE2' ' O ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -71.86 -26.32 62.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.402 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 2.2 tt0 -46.69 -48.05 20.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER 166.86 -30.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' ASP . 3.0 t0 -39.23 -31.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 46' ' ' ASP . . . 46.59 -151.06 1.63 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.571 1.169 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' GLY . 18.9 t80 -35.51 117.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -145.47 -52.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.7 m -126.62 -178.41 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.283 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.61 ' CG2' HG13 ' A' ' 38' ' ' VAL . 20.6 m -140.98 146.32 37.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.843 HD12 ' N ' ' A' ' 54' ' ' GLU . 0.7 OUTLIER -133.01 171.7 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.843 ' N ' HD12 ' A' ' 53' ' ' ILE . 3.6 mt-10 -119.74 139.12 52.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -69.53 163.39 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.493 ' CG2' ' OE1' ' A' ' 99' ' ' GLU . 6.6 t -139.23 -44.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.389 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.21 169.57 19.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.787 HG23 HD13 ' A' ' 98' ' ' ILE . 1.7 m -153.83 146.37 24.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.399 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.94 168.84 26.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.537 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -113.02 105.56 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.385 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.539 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -155.67 173.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.613 HG23 ' C ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -70.68 -157.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.659 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -99.77 -71.3 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -55.14 -8.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.511 ' H ' ' C ' ' A' ' 63' ' ' LEU . 4.1 p -79.81 -1.19 37.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.621 HD21 HG21 ' A' ' 97' ' ' VAL . 3.7 pp -177.17 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.885 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.1 t -41.4 152.04 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.416 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.85 -23.45 7.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.885 ' H ' HG23 ' A' ' 67' ' ' THR . 18.4 tttt -49.22 -36.84 21.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -66.44 -50.26 63.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.612 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.59 -45.86 73.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.701 ' HB3' HD21 ' A' ' 81' ' ' LEU . 0.8 OUTLIER -66.19 -43.3 87.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.597 ' CA ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -48.89 -36.54 17.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.639 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 6.9 tt0 -90.36 20.72 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' GLU . 17.1 t-20 -143.72 -61.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.56 ' N ' ' O ' ' A' ' 72' ' ' GLU . 35.6 mmt -89.86 178.28 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.497 HG23 ' H ' ' A' ' 80' ' ' GLU . 1.4 t -87.0 178.88 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.37 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.494 ' N ' ' OG1' ' A' ' 77' ' ' THR . 2.3 mp -69.08 -37.75 78.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.0 m -56.51 -57.37 12.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.497 ' H ' HG23 ' A' ' 77' ' ' THR . 0.7 OUTLIER -53.87 -44.99 70.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.711 HD22 ' CG ' ' A' ' 69' ' ' LYS . 7.8 mt -59.5 -32.84 70.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.12 -33.6 67.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -67.94 -52.76 32.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.515 HG12 ' HE2' ' A' ' 9' ' ' PHE . 4.5 m -64.53 -44.23 96.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.668 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.2 mm -57.1 -41.35 77.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.88 -26.67 62.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.625 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -79.91 -27.78 39.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.665 HG23 ' CG ' ' A' ' 89' ' ' TYR . 0.2 OUTLIER -87.63 -57.53 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.665 ' CG ' HG23 ' A' ' 88' ' ' ILE . 7.5 p90 163.97 144.9 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.2 Cg_endo -75.01 -162.88 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.99 112.13 0.22 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.614 ' HA ' HD21 ' A' ' 63' ' ' LEU . 8.0 tm0? -115.43 64.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.613 ' C ' HG23 ' A' ' 62' ' ' THR . 23.0 p -147.93 152.39 37.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.43 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.498 ' N ' HG23 ' A' ' 62' ' ' THR . 15.8 mt-30 -37.69 140.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.539 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.6 m-85 -160.69 -177.62 6.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.471 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -75.73 144.52 41.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.941 HG13 ' O ' ' A' ' 24' ' ' THR . 54.3 t -132.04 137.69 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.787 HD13 HG23 ' A' ' 58' ' ' THR . 5.4 mm -129.55 119.14 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.556 ' CB ' HG23 ' A' ' 23' ' ' ILE . 2.6 tm-20 -96.14 143.47 27.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.706 ' CD2' HD13 ' A' ' 53' ' ' ILE . 26.8 p90 -148.07 172.29 14.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 21' ' ' LYS . 11.1 pttt -145.47 152.95 40.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -91.65 -174.4 3.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.327 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.251 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 mtt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.452 0.168 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 22.0 tt0 -127.18 128.99 24.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.263 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 2' ' ' GLN . 18.2 Cg_endo -75.02 178.91 6.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 17.0 t-20 -55.5 170.79 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 4' ' ' ASN . 2.4 m-20 -87.13 -41.5 13.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.93 HD12 ' NE ' ' A' ' 26' ' ' ARG . 5.8 tt -163.43 141.73 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.531 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 2.0 p -101.65 168.97 9.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.4 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.627 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 24.6 m-85 -158.6 131.99 7.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.092 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.83 ' CZ ' ' CD2' ' A' ' 12' ' ' PHE . 4.6 p90 -50.92 -175.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -69.94 -47.07 63.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.557 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 7.1 mtp180 -50.29 -24.99 3.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.83 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -80.22 -34.99 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -42.67 87.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.612 ' HA ' HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -71.74 -52.35 18.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.532 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -55.03 -47.71 74.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 12' ' ' PHE . 58.4 mt -57.55 -44.99 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.612 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.46 -24.67 60.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -77.38 -0.68 26.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 53.81 52.41 42.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' LYS . 93.0 mtt180 -115.0 99.16 7.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 0.76 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' ARG . 1.1 pttm -37.63 100.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ARG . 42.5 m -111.4 150.52 29.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.744 HD13 ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -94.96 161.64 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.92 ' O ' HG13 ' A' ' 97' ' ' VAL . 31.4 p -131.07 171.89 12.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.824 HG13 HG22 ' A' ' 97' ' ' VAL . 4.5 mp -130.45 130.99 65.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.93 ' NE ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -126.96 172.17 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -108.07 128.29 54.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -50.19 -43.4 52.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -14.15 41.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.5 mm-40 -119.28 13.18 12.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.422 ' O ' ' OG ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -38.43 98.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 0.0 110.009 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.487 ' CE1' ' HE ' ' A' ' 26' ' ' ARG . 0.6 OUTLIER -88.14 -134.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.425 ' N ' ' CG ' ' A' ' 32' ' ' HIS . 9.7 m-85 -51.52 -173.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.515 ' O ' HG21 ' A' ' 55' ' ' VAL . 3.8 mmtm -137.52 -170.76 2.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.1 m -72.35 162.35 29.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.28 18.03 64.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.55 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -123.79 -169.0 1.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.574 HG13 HG22 ' A' ' 52' ' ' THR . 1.2 t -106.39 147.86 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.582 HD12 HG22 ' A' ' 55' ' ' VAL . 26.0 mt -130.09 103.9 7.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.488 ' HG3' HG23 ' A' ' 52' ' ' THR . 0.0 OUTLIER -63.65 138.18 58.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.476 ' CG1' HG12 ' A' ' 53' ' ' ILE . 1.4 m -131.51 168.85 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.01 -105.39 0.19 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.59 127.44 3.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 87' ' ' ASP . 1.2 t80 -73.11 -24.77 60.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 1.6 mm-40 -50.18 -48.7 53.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER 157.34 59.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 48' ' ' GLY . 2.9 t0 -141.02 -62.88 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . 55.23 163.25 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.5 t80 37.85 88.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -134.69 -43.6 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.5 m -142.05 175.15 9.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 108.259 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.574 HG22 HG13 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -125.74 143.42 51.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.779 HD12 ' HB2' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -129.3 171.78 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -125.17 142.56 51.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.604 ' CG1' HG22 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -75.18 159.81 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.7 t -132.74 -44.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.395 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.73 168.63 21.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.838 HG23 ' CD1' ' A' ' 98' ' ' ILE . 4.1 m -146.46 144.98 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.79 166.58 32.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.516 ' C ' HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -106.69 115.61 30.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.529 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -158.09 175.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.774 HG22 ' H ' ' A' ' 63' ' ' LEU . 7.7 m -79.27 -153.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.402 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.784 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.6 OUTLIER -98.99 -70.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.47 ' HA ' HG22 ' A' ' 67' ' ' THR . 9.5 t0 -57.19 -9.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.466 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.3 p -74.18 -2.87 26.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 110.393 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.744 ' HB2' HD13 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -173.35 -41.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.927 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -43.05 153.3 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.3 -23.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.966 ' HD2' HD11 ' A' ' 85' ' ' ILE . 19.4 tttm -49.14 -31.06 7.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -68.11 -54.64 16.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.589 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.42 -37.68 73.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.639 ' OE2' HG11 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -70.21 -44.76 67.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.507 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -51.09 -36.15 38.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.86 28.24 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -147.59 -61.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.515 ' N ' ' O ' ' A' ' 72' ' ' GLU . 12.7 mmt -90.28 177.64 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 7.8 t -89.86 -171.22 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' ' 77' ' ' THR . 2.6 mp -70.83 -37.83 73.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -56.3 -55.4 33.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.374 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.23 -44.53 92.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.514 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -56.52 -34.77 67.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -73.47 -37.62 65.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -54.58 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.639 HG11 ' OE2' ' A' ' 72' ' ' GLU . 27.4 m -57.31 -49.89 78.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.966 HD11 ' HD2' ' A' ' 69' ' ' LYS . 6.2 mm -49.85 -42.01 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.84 -24.16 62.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.601 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -81.07 -29.6 34.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.815 HG22 ' CE2' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -87.86 -62.76 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.815 ' CE2' HG22 ' A' ' 88' ' ' ILE . 3.1 p90 169.75 145.86 0.1 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.64 36.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.776 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.39 123.5 4.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 111.035 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.784 ' HA ' HD21 ' A' ' 63' ' ' LEU . 3.4 tt0 -115.69 54.16 0.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.8 p -122.62 151.69 41.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -45.24 149.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.6 m-85 -162.1 -177.6 5.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.05 140.16 39.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 111.044 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.92 HG13 ' O ' ' A' ' 24' ' ' THR . 71.4 t -126.47 132.59 70.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.899 HD13 ' O ' ' A' ' 97' ' ' VAL . 4.4 mm -124.4 127.33 73.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.661 ' CB ' HG23 ' A' ' 23' ' ' ILE . 7.9 tt0 -96.6 150.9 20.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.779 ' HB2' HD12 ' A' ' 53' ' ' ILE . 5.2 p90 -148.27 170.66 17.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -152.55 149.08 28.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.4 t -92.3 128.19 38.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 108.294 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.8 mtt . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.549 0.214 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.14 82.65 0.51 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.52 14.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.442 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 3.0 t30 -91.56 159.91 15.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.442 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -93.72 -52.21 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.579 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 3.8 tt -164.38 144.45 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.6 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.4 p -108.38 170.73 7.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 7' ' ' THR . 44.3 m-85 -154.33 134.6 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.568 ' CD2' ' HG3' ' A' ' 11' ' ' ARG . 6.2 t80 -44.08 164.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -56.3 -44.32 79.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.568 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 34.3 mtp85 -49.37 -48.17 47.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.536 ' O ' HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -62.12 -31.76 72.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.537 ' HB3' HH21 ' A' ' 43' ' ' ARG . 0.0 OUTLIER -66.91 -45.87 76.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.132 . . . . 0.0 110.282 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.746 ' HA ' HD23 ' A' ' 17' ' ' LEU . 7.8 t70 -65.08 -57.54 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.94 -42.98 60.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.536 HD12 ' O ' ' A' ' 12' ' ' PHE . 46.0 mt -63.05 -47.0 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.746 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -59.08 -28.52 66.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.53 18.51 7.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 72.3 -116.08 5.68 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.489 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER 45.22 97.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 0.0 110.286 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.489 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -34.02 106.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.1 m -100.78 120.21 39.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.444 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.906 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -96.13 158.81 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.846 ' O ' HG13 ' A' ' 97' ' ' VAL . 68.5 p -138.86 166.92 23.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.816 HG13 HG22 ' A' ' 97' ' ' VAL . 4.1 mp -122.25 140.01 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.439 ' NE ' HG12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -138.99 163.74 31.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' SER . 13.8 t0 -91.42 130.63 37.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -50.12 -43.16 51.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -25.42 48.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -121.68 16.15 11.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.7 t -105.35 105.43 15.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.956 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -158.31 114.73 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.636 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -179.58 -154.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -147.8 157.7 43.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m -80.55 166.26 21.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.91 14.46 63.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.549 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -102.6 -172.75 2.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.636 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -102.85 141.52 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.509 ' O ' HG13 ' A' ' 41' ' ' VAL . 12.2 mt -122.92 109.37 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 134.0 56.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 39' ' ' LEU . 20.1 m -138.48 174.4 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.4 -107.17 0.2 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.537 HH21 ' HB3' ' A' ' 13' ' ' GLN . 7.6 ttm180 175.1 127.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.755 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -64.53 -28.62 69.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.84 -47.32 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -88.75 -47.08 8.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 t0 171.25 -40.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.504 ' O ' ' O ' ' A' ' 49' ' ' TYR . . . 142.46 165.34 10.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.504 ' O ' ' O ' ' A' ' 48' ' ' GLY . 4.8 t80 56.55 137.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.975 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 179.85 -37.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.0 m -132.36 175.99 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 108.329 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.636 HG22 HG13 ' A' ' 38' ' ' VAL . 4.6 m -126.87 147.24 50.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.731 HD13 ' CG ' ' A' ' 100' ' ' PHE . 1.0 OUTLIER -132.15 172.77 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -125.78 139.33 53.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -72.35 161.41 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.481 HG21 ' HE3' ' A' ' 101' ' ' LYS . 13.8 t -141.37 -45.38 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.441 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -144.63 169.73 17.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.965 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.3 m -160.07 140.59 11.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -157.14 168.09 28.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.958 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.58 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -103.39 110.79 22.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 60' ' ' THR . 0.2 OUTLIER -158.28 174.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.66 HG22 ' H ' ' A' ' 63' ' ' LEU . 3.9 m -72.98 -154.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.432 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.66 ' H ' HG22 ' A' ' 62' ' ' THR . 0.8 OUTLIER -99.78 -71.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.434 ' N ' HD12 ' A' ' 63' ' ' LEU . 5.4 t0 -54.73 -9.59 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.485 ' H ' ' C ' ' A' ' 63' ' ' LEU . 1.2 p -76.69 0.3 20.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.645 HD13 ' HB ' ' A' ' 23' ' ' ILE . 1.4 pp -178.93 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.942 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.1 t -41.47 153.16 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.531 ' HG3' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -52.5 -22.6 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.942 ' H ' HG23 ' A' ' 67' ' ' THR . 28.0 tttt -49.14 -35.13 15.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -68.94 -54.98 12.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.59 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.46 -37.38 65.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 76' ' ' MET . 2.2 tt0 -72.66 -43.58 62.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.531 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -48.88 -36.32 16.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.44 26.91 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' GLU . 12.7 t-20 -145.49 -60.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.522 ' N ' ' O ' ' A' ' 72' ' ' GLU . 19.4 mmm -90.33 178.6 6.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.462 HG23 ' H ' ' A' ' 80' ' ' GLU . 9.4 t -88.29 -177.78 5.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.1 mp -71.26 -38.06 71.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 m -60.1 -45.95 91.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.347 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.482 ' O ' HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -68.03 -37.32 81.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.531 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -61.96 -37.34 84.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -73.13 -38.47 66.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -53.42 57.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 80' ' ' GLU . 14.3 m -63.09 -49.61 82.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.85 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.3 mm -52.56 -40.65 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.54 -22.57 58.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.452 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -83.98 -27.23 28.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.784 HG22 ' CE2' ' A' ' 89' ' ' TYR . 0.3 OUTLIER -95.24 -60.32 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.784 ' CE2' HG22 ' A' ' 88' ' ' ILE . 1.0 OUTLIER 171.93 162.33 0.25 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -41.54 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.25 109.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -86.87 -142.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.754 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.57 ' O ' ' C ' ' A' ' 94' ' ' GLN . 35.6 p -60.19 157.94 12.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.57 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.5 tt0 -23.17 136.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.494 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.3 m-85 -144.26 -177.76 5.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.02 143.78 52.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.846 HG13 ' O ' ' A' ' 24' ' ' THR . 53.1 t -133.85 133.77 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.965 HG23 ' OG1' ' A' ' 58' ' ' THR . 3.2 mm -123.41 118.96 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.906 ' CG ' HG23 ' A' ' 23' ' ' ILE . 16.6 tt0 -95.89 140.39 30.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.351 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.731 ' CG ' HD13 ' A' ' 53' ' ' ILE . 2.7 p90 -148.68 170.21 18.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.481 ' HE3' HG21 ' A' ' 56' ' ' THR . 58.3 mttt -126.02 163.73 22.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.434 ' HB2' HG23 ' A' ' 16' ' ' ILE . 21.6 t -91.94 104.94 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 108.307 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 102' ' ' CYS . 3.2 pp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.3 mtt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.503 0.192 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -167.3 170.38 5.04 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 174.22 13.15 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.508 1.793 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 40' ' ' ARG . 18.0 t-20 -53.65 169.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.427 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 4.9 m-20 -94.37 -47.19 6.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.898 HD11 ' NH1' ' A' ' 26' ' ' ARG . 0.4 OUTLIER -165.22 139.2 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.408 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -101.81 164.63 11.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.389 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.57 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 43.5 m-85 -148.67 136.13 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.603 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 4.5 t80 -39.72 154.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -49.77 -51.38 39.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.575 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 5.0 mtp85 -50.08 -47.58 53.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.512 ' CE1' HD12 ' A' ' 88' ' ' ILE . 10.9 m-85 -62.27 -35.5 79.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.424 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -63.45 -48.24 78.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.297 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.59 -46.69 88.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -34.91 71.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.468 HG12 ' CZ ' ' A' ' 100' ' ' PHE . 30.5 mt -66.88 -45.31 87.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.749 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.52 -25.4 62.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.352 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.88 -3.53 35.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 57.21 37.23 79.35 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 21' ' ' LYS . 14.1 mtt-85 -99.3 100.24 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.421 0.718 . . . . 0.0 110.323 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -37.69 105.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 m -119.8 148.88 42.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.811 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -98.56 154.13 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.866 ' O ' HG13 ' A' ' 97' ' ' VAL . 44.7 p -121.32 174.61 6.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.755 HG13 HG22 ' A' ' 97' ' ' VAL . 4.6 mp -134.44 127.58 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.898 ' NH1' HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -128.02 171.81 11.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.604 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 26.0 t0 -102.76 129.64 49.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -53.99 -39.87 66.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.332 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.3 t -62.04 -15.99 48.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.049 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' SER . 12.7 mm-40 -119.14 11.17 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.61 120.9 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.418 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -113.15 -136.56 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.621 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 5' ' ' ASP . 37.2 m-85 -47.34 175.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -131.21 -169.82 2.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.8 m -69.9 148.65 48.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.83 -14.91 61.92 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.609 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -86.99 -170.89 3.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.1 t -107.86 148.08 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -126.2 101.8 6.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.426 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -78.09 126.42 30.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.553 HG12 ' CE1' ' A' ' 8' ' ' PHE . 18.1 m -108.78 162.54 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.443 ' HA2' ' CB ' ' A' ' 50' ' ' PHE . . . -161.92 -87.8 0.07 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.56 1.162 . . . . 0.0 110.987 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 179.27 127.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 110.28 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -24.61 65.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -52.37 -49.42 64.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER 166.92 -29.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 48' ' ' GLY . 0.4 OUTLIER -42.87 -66.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . 55.34 163.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.465 ' O ' ' CD2' ' A' ' 49' ' ' TYR . 58.2 t80 37.18 91.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.443 ' CB ' ' HA2' ' A' ' 42' ' ' GLY . 8.2 t80 -137.88 -51.83 0.62 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 11.0 m -129.19 179.4 5.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 108.334 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -136.07 147.25 47.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.692 HD12 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -144.51 172.65 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -124.6 152.55 43.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -74.98 140.5 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.409 HG22 ' C ' ' A' ' 99' ' ' GLU . 13.8 t -109.52 -46.1 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.415 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.13 168.93 24.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.83 HG23 ' CD1' ' A' ' 98' ' ' ILE . 3.7 m -144.65 147.83 33.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 110.441 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.62 170.06 23.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.496 HG22 ' CD1' ' A' ' 96' ' ' TYR . 0.7 OUTLIER -114.05 108.82 17.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.401 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -155.5 174.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.765 HG22 ' H ' ' A' ' 63' ' ' LEU . 8.8 m -75.72 -152.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.371 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.789 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -100.65 -73.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.432 ' HA ' HG22 ' A' ' 67' ' ' THR . 5.3 t0 -54.9 -11.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.513 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.1 p -70.54 -5.89 32.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.579 HD21 HG21 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -174.03 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.936 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -41.68 154.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.75 -23.62 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.936 ' H ' HG23 ' A' ' 67' ' ' THR . 56.7 tttt -49.34 -30.1 7.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -72.0 -55.22 7.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.572 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.74 -38.42 72.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.836 ' OE2' HG11 ' A' ' 84' ' ' VAL . 1.8 tt0 -72.15 -44.53 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.476 ' HG2' ' CD1' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -49.43 -36.13 21.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.17 27.63 4.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.405 ' CG ' ' SD ' ' A' ' 76' ' ' MET . 50.9 t-20 -146.99 -61.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.544 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.5 mpt? -90.65 -179.88 5.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 7.1 t -91.94 -172.03 3.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.442 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.5 OUTLIER -70.73 -37.78 73.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.3 m -56.79 -57.15 13.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -55.57 -44.21 76.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.489 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -57.12 -40.99 78.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.91 -29.42 67.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -53.39 24.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.836 HG11 ' OE2' ' A' ' 72' ' ' GLU . 5.0 m -65.02 -41.01 90.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.917 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.8 mm -60.1 -37.73 74.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.2 -24.17 51.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.603 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -82.37 -27.68 31.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.64 HG23 ' CD2' ' A' ' 89' ' ' TYR . 1.2 tt -86.47 -57.69 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.64 ' CD2' HG23 ' A' ' 88' ' ' ILE . 11.2 p90 168.12 141.64 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 157.68 42.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.95 122.22 4.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.44 1.088 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.789 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -115.73 83.46 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.438 ' CG2' ' C ' ' A' ' 92' ' ' GLN . 20.0 p -150.45 152.65 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 93' ' ' THR . 10.0 mt-30 -37.32 148.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.604 ' CD1' ' HA ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -162.12 -178.86 6.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.496 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -87.79 120.39 29.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.969 ' O ' HD13 ' A' ' 98' ' ' ILE . 81.5 t -100.5 133.06 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.969 HD13 ' O ' ' A' ' 97' ' ' VAL . 4.2 mm -125.92 124.66 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.236 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.811 ' CG ' HG23 ' A' ' 23' ' ' ILE . 10.9 tt0 -95.45 153.04 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.692 ' CD1' HD12 ' A' ' 53' ' ' ILE . 7.3 p90 -147.49 155.96 42.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -138.83 152.31 47.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.9 t -91.62 108.18 19.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.336 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 2' ' ' GLN . 40.7 mtt . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.534 0.207 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.46 ' CD ' ' N ' ' A' ' 2' ' ' GLN . 1.1 pm0 34.95 76.03 0.45 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.68 6.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.461 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 1.3 t-20 -96.38 160.41 14.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 2.1 m-20 -94.33 -55.24 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.828 HD12 ' NH1' ' A' ' 26' ' ' ARG . 18.7 tt -146.09 141.93 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.1 p -108.54 166.49 10.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.379 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.842 ' HD2' HG23 ' A' ' 41' ' ' VAL . 42.5 m-85 -157.37 124.09 5.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 11' ' ' ARG . 7.0 t80 -38.66 158.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.429 ' OE1' ' N ' ' A' ' 11' ' ' ARG . 1.4 pp0? -51.32 -52.44 45.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.574 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -55.32 -47.79 75.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.417 ' CE1' HG21 ' A' ' 22' ' ' THR . 0.5 OUTLIER -62.23 -36.02 80.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.501 ' OE1' HG22 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -63.84 -47.48 80.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.592 ' HA ' HD23 ' A' ' 17' ' ' LEU . 3.9 t70 -59.16 -46.54 88.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -56.58 -41.61 77.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.63 -43.7 96.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.28 -25.53 61.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -76.64 -1.02 25.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.71 66.67 2.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -130.49 96.11 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.278 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -36.02 104.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.417 HG21 ' CE1' ' A' ' 12' ' ' PHE . 85.8 m -116.26 153.66 31.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.422 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.968 HD13 ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -95.67 160.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.912 ' O ' HG13 ' A' ' 97' ' ' VAL . 29.7 p -142.9 173.98 11.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.987 HG13 HG22 ' A' ' 97' ' ' VAL . 4.5 mp -133.84 141.13 44.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.828 ' NH1' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -136.07 171.75 14.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -100.7 126.8 47.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -51.66 -43.28 62.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.98 -13.71 28.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' SER . 20.7 mt-10 -121.42 14.28 11.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.77 100.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.49 ' NE2' ' NH1' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -80.01 -136.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.608 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.456 ' N ' ' CG ' ' A' ' 32' ' ' HIS . 6.6 m-85 -52.91 -170.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.536 ' O ' HG21 ' A' ' 55' ' ' VAL . 27.3 mmtp -135.01 -170.35 2.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.4 m -73.68 164.55 26.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.52 14.79 43.92 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.631 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -117.84 -172.21 2.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 0.747 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.556 HG13 ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -104.22 150.03 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.578 HD12 HG22 ' A' ' 55' ' ' VAL . 17.6 mt -130.27 113.18 14.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -68.19 117.07 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.842 HG23 ' HD2' ' A' ' 8' ' ' PHE . 2.2 p -96.83 139.0 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 48' ' ' GLY . . . -151.76 -173.35 21.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -114.04 130.84 56.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -27.01 63.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -47.63 56.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 170.31 -36.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.46 -53.56 3.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.415 ' O ' ' CA ' ' A' ' 42' ' ' GLY . . . 69.2 -144.72 41.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.477 ' O ' ' CD2' ' A' ' 49' ' ' TYR . 6.4 t80 -36.54 105.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -110.32 -54.05 2.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 m -148.74 -173.94 4.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.304 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.556 ' CG2' HG13 ' A' ' 38' ' ' VAL . 23.3 m -125.2 150.85 46.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 110.421 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.901 HD12 ' N ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -138.15 171.4 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.901 ' N ' HD12 ' A' ' 53' ' ' ILE . 2.2 mt-10 -120.72 143.2 48.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -76.09 159.79 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.0 t -135.53 -45.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.12 168.43 19.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.89 HG23 HD13 ' A' ' 98' ' ' ILE . 1.9 m -165.18 131.64 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -158.05 169.72 23.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.482 ' C ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -89.44 113.59 24.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.748 ' HB ' HD21 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -156.43 167.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.764 HG23 ' CA ' ' A' ' 94' ' ' GLN . 0.2 OUTLIER -82.08 -161.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.4 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.4 OUTLIER -92.8 -74.43 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 70' ' ' HIS . 3.0 t0 -49.92 -13.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.516 HG23 ' HB ' ' A' ' 62' ' ' THR . 16.1 p -77.11 2.55 14.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.968 ' HB2' HD13 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -174.9 -46.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.872 HG22 ' H ' ' A' ' 69' ' ' LYS . 1.2 m -46.04 148.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.456 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -43.86 -22.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.872 ' H ' HG22 ' A' ' 67' ' ' THR . 2.9 tptm -46.04 -32.62 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 8.7 t60 -65.95 -54.8 21.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.589 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.58 81.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.568 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -60.22 -44.61 95.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.47 ' N ' HD11 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -51.14 -38.43 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -99.36 28.41 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -146.07 -61.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.568 ' N ' ' O ' ' A' ' 72' ' ' GLU . 14.6 mmt -90.42 177.49 6.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 0.9 OUTLIER -90.04 176.92 6.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.348 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.488 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.5 OUTLIER -61.82 -36.88 82.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -56.63 -50.8 70.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.425 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.5 -47.12 87.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.511 HD13 ' HD2' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -56.02 -37.08 68.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -69.32 -37.33 77.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -60.12 -53.08 62.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 81' ' ' LEU . 5.1 m -65.12 -39.03 84.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -60.7 -37.73 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.72 -26.34 54.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.554 ' OD1' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -79.38 -28.32 41.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.615 HG23 ' CG ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -86.94 -57.36 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.615 ' CG ' HG23 ' A' ' 88' ' ' ILE . 7.9 p90 164.85 147.97 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -177.1 3.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.24 120.82 0.72 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 92' ' ' GLN . 3.4 tm0? -102.96 69.25 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.3 p -144.03 148.44 35.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.764 ' CA ' HG23 ' A' ' 62' ' ' THR . 13.9 pt20 -65.86 160.4 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 110.287 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.61 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -164.96 -177.88 4.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.13 133.09 55.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.987 HG22 HG13 ' A' ' 25' ' ' ILE . 50.4 t -114.85 138.26 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.89 HD13 HG23 ' A' ' 58' ' ' THR . 6.9 mm -126.25 111.89 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.505 ' CB ' HG23 ' A' ' 23' ' ' ILE . 7.4 tt0 -96.08 141.7 29.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.782 ' HB2' HD13 ' A' ' 53' ' ' ILE . 1.5 p90 -146.75 173.22 12.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -146.27 155.38 42.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 10.5 t -91.79 125.07 36.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.343 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 mtm . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.479 0.18 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 68.33 146.66 0.11 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 177.75 8.18 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -51.2 173.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.99 -42.8 10.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.753 HD13 ' HE ' ' A' ' 26' ' ' ARG . 1.2 tp -164.02 142.64 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.454 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -111.33 165.59 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.422 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 41' ' ' VAL . 9.6 m-85 -155.7 130.9 9.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.609 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 6.3 t80 -37.26 157.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -49.86 -51.67 38.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.591 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 4.1 mtt-85 -49.39 -46.11 46.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -31.94 72.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.663 ' NE2' ' CG ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -65.78 -53.15 44.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.697 ' HA ' HD23 ' A' ' 17' ' ' LEU . 8.7 t70 -56.09 -45.5 79.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.5 -45.01 81.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.2 mt -61.77 -45.01 99.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.26 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.697 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.88 -25.65 63.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.82 11.75 14.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 67.54 -115.92 7.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 42.69 94.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 0.774 . . . . 0.0 110.301 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -38.95 134.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -139.18 148.06 42.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.874 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -98.31 152.32 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.931 ' O ' HG13 ' A' ' 97' ' ' VAL . 34.4 p -118.0 172.63 7.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.71 HG13 HG22 ' A' ' 97' ' ' VAL . 4.3 mp -130.71 128.39 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.753 ' HE ' HD13 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -125.24 171.82 10.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -109.8 129.69 55.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 31' ' ' SER . 14.9 tp10 -54.31 -35.09 62.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 t -62.88 -12.7 26.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 31' ' ' SER . 10.1 mm-40 -120.38 11.13 11.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.31 131.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.586 ' CE1' ' NH2' ' A' ' 26' ' ' ARG . 2.0 p-80 -148.39 -122.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.567 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.467 ' O ' ' O ' ' A' ' 32' ' ' HIS . 4.6 m-30 -44.3 175.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.88 -164.33 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.7 m -74.55 158.77 33.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.86 16.02 80.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.579 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -123.37 -171.55 2.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.559 HG13 HG22 ' A' ' 52' ' ' THR . 1.0 OUTLIER -106.81 147.91 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.42 HD12 HG22 ' A' ' 55' ' ' VAL . 27.0 mt -129.48 106.05 8.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -70.88 134.19 47.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.573 HG12 ' CE1' ' A' ' 8' ' ' PHE . 13.8 m -115.12 140.29 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.76 -141.33 4.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -148.18 137.31 21.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 0.767 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -74.5 -31.64 62.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' C ' ' OD1' ' A' ' 46' ' ' ASP . 1.5 mt-10 -48.57 -48.93 38.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.1 p-10 165.71 -33.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -39.56 -48.64 2.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.71 -153.22 52.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -37.76 112.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.663 ' CG ' ' NE2' ' A' ' 13' ' ' GLN . 1.7 t80 -110.4 -55.25 2.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.2 m -146.18 -175.88 4.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 108.302 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.559 HG22 HG13 ' A' ' 38' ' ' VAL . 2.2 m -128.11 154.23 45.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.392 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.725 HD12 ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -141.13 172.56 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -121.89 145.25 48.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.706 ' CG1' HG22 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -75.38 151.67 6.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 100' ' ' PHE . 5.1 t -125.18 -45.99 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.16 170.2 18.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.806 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.4 m -148.38 149.0 30.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.16 169.05 25.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.514 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -110.81 105.85 14.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.356 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.526 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.97 173.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.735 HG22 ' H ' ' A' ' 63' ' ' LEU . 6.0 m -72.38 -152.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.41 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.735 ' H ' HG22 ' A' ' 62' ' ' THR . 0.6 OUTLIER -102.4 -66.92 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.94 -6.7 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.477 ' OG1' ' HB ' ' A' ' 62' ' ' THR . 1.0 OUTLIER -77.1 -2.45 34.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.034 HD12 ' N ' ' A' ' 67' ' ' THR . 3.4 pp -173.24 -43.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 1.034 ' N ' HD12 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -43.12 149.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.441 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.06 -22.91 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.244 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.908 ' H ' HG23 ' A' ' 67' ' ' THR . 0.4 OUTLIER -49.24 -30.37 7.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -63.95 -52.67 58.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.612 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.17 90.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 76' ' ' MET . 15.7 tt0 -64.0 -44.68 91.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.614 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -53.63 -38.35 63.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.628 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 5.5 tt0 -92.46 20.96 5.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -135.68 -59.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.511 ' HB2' ' CD2' ' A' ' 81' ' ' LEU . 25.9 mmt -91.14 177.23 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.476 ' O ' HD23 ' A' ' 81' ' ' LEU . 8.3 t -83.49 -179.15 7.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.35 -36.66 74.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.14 -53.95 52.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.404 ' H ' HG23 ' A' ' 77' ' ' THR . 1.4 mt-10 -58.63 -48.86 79.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.614 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.3 OUTLIER -51.28 -48.56 62.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -32.54 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -52.66 62.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.623 HG23 ' CE ' ' A' ' 69' ' ' LYS . 20.2 m -65.36 -38.45 82.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 81' ' ' LEU . 3.8 mt -56.94 -37.99 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.18 -34.86 63.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.609 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -71.97 -27.68 62.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.661 HG23 ' CG ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -91.95 -57.56 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.661 ' CG ' HG23 ' A' ' 88' ' ' ILE . 1.8 p90 161.45 162.47 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.488 ' O ' ' C ' ' A' ' 91' ' ' GLY . 18.3 Cg_endo -75.02 -92.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 90' ' ' PRO . . . 30.4 88.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.635 ' CG ' ' O ' ' A' ' 92' ' ' GLN . 4.5 tt0 -101.52 44.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.51 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 34.6 p -151.47 151.83 32.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.44 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 93' ' ' THR . 13.6 mt-30 -36.81 146.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.526 ' O ' ' O ' ' A' ' 61' ' ' VAL . 8.4 m-85 -158.94 -178.83 7.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.423 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -75.41 144.26 42.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 111.061 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.931 HG13 ' O ' ' A' ' 24' ' ' THR . 74.2 t -130.95 132.06 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.806 HG23 ' OG1' ' A' ' 58' ' ' THR . 4.0 mm -124.25 126.18 71.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.874 ' CG ' HG23 ' A' ' 23' ' ' ILE . 11.2 tt0 -95.48 157.07 16.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.725 ' CD1' HD12 ' A' ' 53' ' ' ILE . 9.7 p90 -146.83 167.48 23.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.41 139.11 40.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.9 t -92.68 123.99 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.325 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.51 0.195 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 178.6 65.64 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.82 13.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.515 1.797 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 40' ' ' ARG . 2.0 t-20 -93.68 159.15 15.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.609 ' CG ' ' CE2' ' A' ' 33' ' ' PHE . 5.4 m-20 -90.84 -54.04 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.527 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 2.2 tt -160.54 143.52 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.404 ' C ' ' CG ' ' A' ' 8' ' ' PHE . 1.8 p -106.07 173.23 6.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.527 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 33.2 m-85 -154.78 131.86 10.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.606 ' CE1' ' OD1' ' A' ' 87' ' ' ASP . 4.5 t80 -40.11 162.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.32 -46.41 88.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.583 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 3.5 mtt-85 -57.07 -38.3 73.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.687 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 3.8 m-85 -63.55 -40.25 96.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -53.46 46.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.574 ' HA ' HD23 ' A' ' 17' ' ' LEU . 8.9 t70 -58.39 -44.29 88.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -45.68 74.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 20' ' ' ARG . 37.9 mt -58.86 -44.02 89.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.93 -33.65 70.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.67 17.37 22.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 20' ' ' ARG . . . -143.68 -78.92 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.533 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.9 tpm_? 86.71 26.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.47 100.26 0.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.622 ' O ' ' CE1' ' A' ' 100' ' ' PHE . 1.8 m -154.32 156.37 36.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.009 HD13 ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -103.24 158.53 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.875 ' O ' HG13 ' A' ' 97' ' ' VAL . 21.7 p -127.16 173.35 9.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.872 HG21 ' CE1' ' A' ' 95' ' ' PHE . 4.3 mp -130.64 142.27 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.533 ' NH2' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -139.59 171.83 13.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -99.87 128.93 45.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -55.83 -39.61 71.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.67 -13.73 25.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -120.06 9.15 11.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.17 111.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.48 ' NE2' ' NH2' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -110.78 -129.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.611 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.609 ' CE2' ' CG ' ' A' ' 5' ' ' ASP . 42.2 m-85 -43.13 168.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.489 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -128.0 -164.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.439 ' HA ' ' HB ' ' A' ' 55' ' ' VAL . 17.2 m -73.44 152.03 40.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 110.37 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.67 -14.34 42.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.451 1.094 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.701 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -87.08 -171.06 3.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 0.73 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.675 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -108.23 151.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.533 HD22 ' NH2' ' A' ' 26' ' ' ARG . 18.0 mt -128.49 112.54 14.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.448 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 1.0 OUTLIER -71.39 109.05 5.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.4 t -82.67 140.01 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -156.29 147.18 15.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.47 127.74 33.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 0.728 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -26.79 68.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -45.43 -48.04 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 165.75 -33.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.28 -57.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.1 156.93 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.148 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 49' ' ' TYR . 11.1 t80 37.12 81.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 111.005 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -97.6 -45.62 6.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -158.13 -174.03 4.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.675 HG22 HG13 ' A' ' 38' ' ' VAL . 3.0 m -125.91 142.44 51.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.851 HD12 ' C ' ' A' ' 53' ' ' ILE . 0.7 OUTLIER -134.52 171.92 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.745 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.6 mt-10 -116.23 143.44 45.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -72.06 145.81 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.453 ' CG2' ' HB3' ' A' ' 99' ' ' GLU . 9.9 t -114.14 -47.07 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.433 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.46 169.26 22.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.805 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.4 m -155.93 139.37 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.81 164.79 35.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.66 HG22 ' CD1' ' A' ' 96' ' ' TYR . 1.2 p -93.81 120.99 34.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.382 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.545 HG22 ' C ' ' A' ' 60' ' ' THR . 0.0 OUTLIER -159.67 174.22 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.505 HG22 ' H ' ' A' ' 63' ' ' LEU . 1.7 m -77.59 -155.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.438 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' A' ' 67' ' ' THR . 1.0 OUTLIER -98.5 -66.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.461 ' HA ' HG22 ' A' ' 67' ' ' THR . 4.1 t0 -61.01 -8.59 3.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.48 HG23 ' HB ' ' A' ' 62' ' ' THR . 1.4 p -74.48 -3.04 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.009 ' HB2' HD13 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -171.91 -42.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.938 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -42.87 154.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -48.91 -23.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.938 ' H ' HG23 ' A' ' 67' ' ' THR . 52.8 tttt -48.55 -29.91 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -70.68 -56.07 7.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.598 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.64 -50.35 74.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.648 ' OE1' HG11 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -61.57 -43.07 99.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.254 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.563 ' CA ' HD11 ' A' ' 81' ' ' LEU . 8.1 tt0 -50.56 -38.75 46.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -101.05 31.4 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -148.11 -59.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.545 ' N ' ' O ' ' A' ' 72' ' ' GLU . 12.8 mmt -90.49 178.01 6.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 6.0 t -84.66 -173.86 4.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.424 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.461 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.1 OUTLIER -70.81 -41.69 71.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.4 m -57.54 -46.68 83.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.523 ' O ' HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -59.57 -40.84 88.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.563 HD11 ' CA ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -61.71 -38.42 87.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -71.42 -29.58 65.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -53.33 16.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.648 HG11 ' OE1' ' A' ' 72' ' ' GLU . 4.6 m -64.75 -39.82 86.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.872 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.7 mm -62.52 -38.73 82.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.75 -20.91 52.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.606 ' OD1' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -85.87 -28.46 24.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.687 ' CD1' ' CZ ' ' A' ' 12' ' ' PHE . 2.3 tt -84.33 -58.07 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.652 ' CD2' HG23 ' A' ' 88' ' ' ILE . 16.3 p90 172.07 135.39 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.3 Cg_endo -75.01 161.01 39.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.553 1.818 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.82 122.77 5.03 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -107.79 80.94 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 0.794 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.662 ' O ' ' CE2' ' A' ' 95' ' ' PHE . 22.9 p -144.62 153.56 41.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -68.86 147.65 51.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.329 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.872 ' CE1' HG21 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -162.78 -178.65 6.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.66 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.8 OUTLIER -65.93 149.84 49.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.875 HG13 ' O ' ' A' ' 24' ' ' THR . 78.2 t -132.2 123.62 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.805 HG23 ' OG1' ' A' ' 58' ' ' THR . 2.8 mm -112.05 128.33 68.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.846 ' CB ' HG23 ' A' ' 23' ' ' ILE . 13.9 tt0 -98.04 152.54 19.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.709 ' HB2' HD13 ' A' ' 53' ' ' ILE . 20.3 p90 -138.29 152.21 48.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -155.27 145.94 22.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.466 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 6.5 t -92.72 128.39 38.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.322 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mmt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.457 0.17 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.519 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.5 OUTLIER -81.64 -50.77 0.88 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 110.334 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 2' ' ' GLN . 18.3 Cg_endo -75.01 176.78 9.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.79 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 40' ' ' ARG . 6.3 t30 -92.56 177.12 6.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -107.23 -42.93 4.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.555 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -164.95 138.53 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.493 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 5.0 p -100.73 176.89 5.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.632 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 59.8 m-85 -159.33 128.56 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.789 ' CZ ' ' CD2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -36.64 154.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 110.984 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -49.59 -47.42 49.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -48.92 -32.77 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.789 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -75.42 -32.58 60.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -42.77 89.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.642 ' HA ' HD23 ' A' ' 17' ' ' LEU . 1.1 t70 -69.74 -52.48 25.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.587 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -55.22 -47.84 74.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.6 mt -55.92 -46.2 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.642 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -57.62 -24.55 57.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -75.97 -2.29 29.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 56.75 62.61 6.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 21' ' ' LYS . 15.3 mtt180 -127.34 97.21 4.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -36.15 106.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.455 HG21 ' CE1' ' A' ' 12' ' ' PHE . 24.5 m -118.19 151.74 37.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.45 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.904 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -95.95 158.1 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.742 ' O ' HG13 ' A' ' 97' ' ' VAL . 31.1 p -130.62 162.81 28.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.405 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.819 HG21 ' CE1' ' A' ' 95' ' ' PHE . 4.3 mp -121.74 141.42 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.531 ' NH1' ' CD1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -143.24 171.35 14.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 29' ' ' SER . 16.0 t0 -101.36 134.21 44.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 5.9 tp10 -48.55 -52.84 20.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.439 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 78.9 p -57.24 -17.53 12.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -129.73 32.91 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -54.41 -170.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.427 ' N ' ' OG ' ' A' ' 31' ' ' SER . 26.0 p-80 -113.61 -146.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.624 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -94.61 -67.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.033 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -177.61 -165.05 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.2 m -96.6 154.43 17.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.419 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.26 -14.39 45.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -79.46 -174.18 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.508 HG13 ' CG2' ' A' ' 52' ' ' THR . 1.1 t -105.52 141.53 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.814 HD12 HG22 ' A' ' 55' ' ' VAL . 14.8 mt -123.75 103.93 8.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.514 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -57.03 117.18 3.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.342 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.54 HG23 ' CD1' ' A' ' 8' ' ' PHE . 6.0 p -95.75 143.62 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 48' ' ' GLY . . . -143.01 -131.89 2.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -149.16 127.99 12.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 110.261 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -69.56 -30.25 68.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -48.87 54.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.5 OUTLIER 164.63 -32.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' ASP . 1.1 t0 -40.11 -55.22 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.522 ' O ' ' CA ' ' A' ' 42' ' ' GLY . . . 81.86 -148.9 27.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' GLY . 8.8 t80 -34.92 135.88 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -144.68 -49.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.473 ' C ' HG12 ' A' ' 41' ' ' VAL . 56.5 m -150.77 -175.5 5.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 108.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.508 ' CG2' HG13 ' A' ' 38' ' ' VAL . 23.8 m -123.12 140.94 52.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.661 ' CD1' ' CG ' ' A' ' 100' ' ' PHE . 1.2 pt -126.6 171.99 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -127.27 136.34 51.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.814 HG22 HD12 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -68.97 164.58 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.3 t -138.62 -45.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.59 169.08 19.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 1.0 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.8 m -155.68 138.46 15.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -158.25 166.35 32.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.552 ' C ' HG22 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -99.71 119.23 37.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.552 HG22 ' C ' ' A' ' 60' ' ' THR . 0.0 OUTLIER -159.71 175.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.665 ' OG1' HG21 ' A' ' 65' ' ' THR . 0.2 OUTLIER -77.29 -154.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 67' ' ' THR . 1.0 OUTLIER -97.86 -66.58 0.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.415 ' H ' ' HG ' ' A' ' 63' ' ' LEU . 1.8 t0 -61.9 -7.02 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.248 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.665 HG21 ' OG1' ' A' ' 62' ' ' THR . 1.2 p -76.69 -2.64 33.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.572 HD21 HG21 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -172.82 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.953 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.1 t -41.92 153.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.389 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.56 -22.81 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.991 ' HD2' HD11 ' A' ' 85' ' ' ILE . 52.0 tttt -48.72 -31.99 7.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -69.17 -55.81 9.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.579 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.7 68.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -71.77 -44.91 63.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.475 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -50.59 -34.15 24.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.91 29.76 4.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -150.72 -60.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.557 ' N ' ' O ' ' A' ' 72' ' ' GLU . 18.1 mmt -90.21 177.97 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 8.6 t -90.2 -167.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.2 OUTLIER -72.11 -39.82 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -55.64 -55.44 32.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 76' ' ' MET . 1.3 mt-10 -56.03 -43.88 78.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.504 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -59.88 -34.83 73.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -30.59 64.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -53.15 30.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 81' ' ' LEU . 11.5 m -59.88 -41.55 86.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.991 HD11 ' HD2' ' A' ' 69' ' ' LYS . 6.7 mm -60.15 -40.37 83.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.64 -23.93 60.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.68 -28.99 27.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.648 ' O ' ' HB3' ' A' ' 89' ' ' TYR . 1.7 tt -83.69 -57.89 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.648 ' HB3' ' O ' ' A' ' 88' ' ' ILE . 10.4 p90 161.92 143.55 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.2 Cg_endo -75.07 148.23 34.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.7 125.15 5.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.29 71.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.636 ' O ' ' CZ ' ' A' ' 95' ' ' PHE . 17.8 p -127.51 152.09 48.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 10.6 tt0 -74.29 152.86 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.819 ' CE1' HG21 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -163.13 -178.09 5.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.14 151.16 46.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.848 ' C ' HD13 ' A' ' 98' ' ' ILE . 64.8 t -136.78 124.6 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.0 HG23 ' OG1' ' A' ' 58' ' ' THR . 1.8 mm -113.85 122.3 67.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.904 ' CG ' HG23 ' A' ' 23' ' ' ILE . 17.5 tt0 -96.36 146.06 25.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.661 ' CG ' ' CD1' ' A' ' 53' ' ' ILE . 3.8 p90 -147.45 165.65 29.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 111.001 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 21' ' ' LYS . 2.1 pttt -139.18 150.96 46.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 7.5 t -91.61 127.15 36.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 108.313 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.417 ' O ' ' CB ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.527 0.203 . . . . 0.0 110.978 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.464 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.8 OUTLIER 166.7 -53.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 2' ' ' GLN . 18.4 Cg_endo -74.95 172.48 16.26 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 10.7 t-20 -64.18 160.01 19.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.602 ' CG ' ' CE2' ' A' ' 33' ' ' PHE . 16.1 m-20 -106.27 -45.65 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.578 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 11.2 tt -164.28 150.64 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.581 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.3 p -114.04 165.95 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.434 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.581 ' CD1' ' O ' ' A' ' 7' ' ' THR . 48.9 m-85 -156.13 125.34 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.616 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -45.68 172.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.476 ' HB2' ' CG ' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -61.11 -41.45 96.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.413 ' C ' ' OE1' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -49.22 -42.68 41.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.51 ' CD2' ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -65.09 -36.88 85.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 111.001 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.405 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -67.01 -46.32 74.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.436 ' HA ' HD23 ' A' ' 17' ' ' LEU . 13.4 t70 -59.2 -48.84 80.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -59.03 -39.03 80.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.483 ' CG2' ' HB2' ' A' ' 102' ' ' CYS . 30.6 mt -62.29 -45.33 99.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.96 -24.67 62.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.91 14.51 8.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 69.18 -124.63 16.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 43.03 93.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 110.26 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -37.49 103.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 m -81.11 139.34 35.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.926 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -103.32 148.66 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.713 ' O ' HG13 ' A' ' 97' ' ' VAL . 50.4 p -125.47 172.79 9.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.382 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.594 HG13 HG22 ' A' ' 97' ' ' VAL . 4.4 mp -122.72 140.83 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.612 ' NH2' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -139.65 171.42 14.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -102.32 132.52 48.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.04 -37.47 77.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -8.2 37.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 31' ' ' SER . 2.8 mt-10 -118.6 1.36 11.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -37.15 116.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.424 ' O ' ' O ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -118.73 -128.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.567 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.602 ' CE2' ' CG ' ' A' ' 5' ' ' ASP . 40.9 m-85 -42.89 168.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.436 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -124.14 -169.9 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.435 ' HA ' ' HB ' ' A' ' 55' ' ' VAL . 7.5 m -71.52 151.97 43.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.12 -13.55 49.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.575 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -89.06 -169.5 2.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 0.778 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.498 HG23 ' HG3' ' A' ' 54' ' ' GLU . 1.2 t -107.88 146.56 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.612 HD22 ' NH2' ' A' ' 26' ' ' ARG . 14.7 mt -122.9 113.34 18.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 134.54 53.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.51 HG12 ' N ' ' A' ' 42' ' ' GLY . 63.4 t -128.13 165.94 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.51 ' N ' HG12 ' A' ' 41' ' ' VAL . . . 176.15 93.84 0.09 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -69.03 136.54 52.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -70.69 -31.52 68.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.489 ' OE2' ' CE1' ' A' ' 9' ' ' PHE . 6.8 mp0 -45.3 -43.15 10.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.05 -36.19 15.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 171.77 -52.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . 139.17 -136.01 7.67 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 4' ' ' ASN . 14.5 m-30 -37.57 97.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 0.754 . . . . 0.0 111.056 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.458 ' C ' ' SG ' ' A' ' 51' ' ' CYS . 2.7 t80 -176.59 34.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.458 ' SG ' ' C ' ' A' ' 50' ' ' PHE . 2.7 m -150.54 168.68 23.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 108.3 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.4 m -151.22 144.55 24.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.958 HD12 ' N ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -144.07 170.27 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.958 ' N ' HD12 ' A' ' 53' ' ' ILE . 4.6 tt0 -125.7 132.65 52.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -60.51 161.97 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.412 ' CG2' ' N ' ' A' ' 57' ' ' ALA . 3.2 t -139.45 -46.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -148.26 169.39 20.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.915 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.3 m -152.18 145.04 24.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.68 168.53 27.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.534 ' C ' HG22 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -102.69 112.19 24.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.39 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.534 HG22 ' C ' ' A' ' 60' ' ' THR . 0.0 OUTLIER -158.74 175.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.759 HG22 ' H ' ' A' ' 63' ' ' LEU . 6.7 m -84.12 -154.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.866 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.6 OUTLIER -96.84 -71.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -56.23 -9.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.467 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 3.6 p -78.3 1.36 22.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.423 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.798 HD21 HG21 ' A' ' 97' ' ' VAL . 2.5 pp -177.56 -41.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.946 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.0 OUTLIER -42.97 152.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' OE1' ' C ' ' A' ' 11' ' ' ARG . 1.1 mt-10 -49.64 -23.48 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.946 ' H ' HG23 ' A' ' 67' ' ' THR . 22.0 tttt -48.88 -29.56 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -72.39 -54.59 8.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.591 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.84 -38.75 73.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 76' ' ' MET . 2.8 tt0 -72.03 -43.66 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.578 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -49.07 -36.5 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.9 25.63 4.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.1 t-20 -145.5 -63.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.53 ' N ' ' O ' ' A' ' 72' ' ' GLU . 17.2 mmt -90.61 178.1 6.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.582 HG23 ' HB ' ' A' ' 79' ' ' THR . 2.0 t -96.86 173.43 7.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.359 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.406 ' N ' ' OG1' ' A' ' 77' ' ' THR . 2.0 mp -55.02 -34.48 63.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.582 ' HB ' HG23 ' A' ' 77' ' ' THR . 1.2 m -56.46 -57.6 11.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -45.4 93.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.578 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -53.79 -41.26 67.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -34.52 72.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.79 -54.13 43.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.498 ' O ' ' CG1' ' A' ' 88' ' ' ILE . 13.9 m -63.94 -49.22 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.845 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.8 mm -52.19 -41.39 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.58 -23.62 59.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.616 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -80.98 -29.06 35.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.892 HG22 ' CE2' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -90.4 -63.18 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.892 ' CE2' HG22 ' A' ' 88' ' ' ILE . 6.7 p90 171.44 143.34 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.2 Cg_endo -75.02 -167.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.28 114.86 0.19 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.866 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.5 tm0? -115.4 68.64 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.44 ' C ' HG23 ' A' ' 62' ' ' THR . 21.1 p -143.36 151.88 40.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 110.368 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -41.92 142.94 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.524 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.7 m-85 -161.17 -177.36 6.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.65 133.01 37.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.938 ' O ' HD13 ' A' ' 98' ' ' ILE . 55.2 t -116.28 138.23 47.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.938 HD13 ' O ' ' A' ' 97' ' ' VAL . 4.4 mm -128.83 118.67 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.926 ' CG ' HG23 ' A' ' 23' ' ' ILE . 6.9 tt0 -95.12 140.97 29.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.6 ' HB2' HD13 ' A' ' 53' ' ' ILE . 4.9 p90 -148.91 169.27 20.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.425 ' HE2' ' N ' ' A' ' 21' ' ' LYS . 17.2 mttt -127.9 155.16 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.483 ' HB2' ' CG2' ' A' ' 16' ' ' ILE . 4.0 t -79.18 104.82 10.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 108.248 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 mtm . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.54 0.21 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -159.76 109.7 1.46 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.76 17.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -62.99 166.75 5.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.367 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -107.99 -41.03 5.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.547 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -164.41 140.13 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.431 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -102.13 160.51 14.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.723 ' CD1' HG23 ' A' ' 41' ' ' VAL . 18.6 m-85 -144.61 120.5 10.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.615 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 7.8 t80 -40.8 158.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.424 ' HB2' ' CG ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -49.82 -54.45 19.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.586 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 11.6 mtp-105 -51.55 -48.98 62.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.683 ' CE1' ' CD1' ' A' ' 88' ' ' ILE . 7.4 m-85 -63.83 -33.7 76.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.049 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.421 ' HB3' HH21 ' A' ' 43' ' ' ARG . 0.0 OUTLIER -67.24 -46.9 72.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.76 ' HA ' HD23 ' A' ' 17' ' ' LEU . 3.4 t0 -58.6 -49.64 76.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.547 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -54.63 -49.09 71.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.0 mt -58.51 -42.1 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.76 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.3 -24.06 58.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -75.44 -2.11 27.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 56.61 38.56 82.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -102.9 101.13 11.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 110.331 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -36.61 104.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.428 HG21 ' OE1' ' A' ' 68' ' ' GLU . 72.3 m -124.41 155.51 38.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.88 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -99.86 154.7 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.779 ' O ' HG13 ' A' ' 97' ' ' VAL . 81.2 p -138.08 174.27 10.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.802 HG13 HG22 ' A' ' 97' ' ' VAL . 3.5 mp -124.47 141.16 45.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.531 ' CZ ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -135.49 171.46 14.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.574 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 19.1 t0 -100.03 131.25 46.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -53.99 -43.85 70.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -60.1 -18.65 48.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.999 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' SER . 19.3 mt-10 -120.43 16.72 12.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.51 155.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -93.92 -142.78 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.617 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.9 -66.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.12 -171.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.418 ' HA ' ' HB ' ' A' ' 55' ' ' VAL . 7.4 m -81.97 153.88 26.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.98 -14.28 44.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.643 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -85.89 -170.08 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.609 HG13 ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -107.44 153.0 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.861 HD12 HG22 ' A' ' 55' ' ' VAL . 11.6 mt -134.58 108.87 8.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.69 129.7 42.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.794 HG13 ' HB2' ' A' ' 51' ' ' CYS . 7.6 p -111.22 135.83 49.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 43' ' ' ARG . . . -118.46 -134.69 5.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.47 ' N ' ' HA2' ' A' ' 48' ' ' GLY . 1.4 ttt180 174.2 126.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 110.267 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -76.14 -26.52 56.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -41.59 -32.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -133.35 -51.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER 164.4 -21.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.47 ' HA2' ' N ' ' A' ' 43' ' ' ARG . . . 166.29 137.02 2.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.44 1.088 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.521 ' CD2' ' SG ' ' A' ' 51' ' ' CYS . 2.6 t80 -87.78 -15.84 35.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 0.773 . . . . 0.0 111.055 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 66.19 59.9 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.794 ' HB2' HG13 ' A' ' 41' ' ' VAL . 81.1 m -130.62 -173.72 3.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 108.253 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.609 ' CG2' HG13 ' A' ' 38' ' ' VAL . 63.8 m -150.93 155.68 39.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.91 HD12 ' N ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -141.17 168.07 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.91 ' N ' HD12 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -118.65 137.54 53.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.861 HG22 HD12 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -74.84 160.54 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 99' ' ' GLU . 9.7 t -136.96 -44.84 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -149.03 168.58 22.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.947 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.3 m -148.93 151.46 34.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.62 168.95 25.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.515 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -115.83 106.43 13.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.409 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.528 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.36 173.28 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.622 HG23 ' C ' ' A' ' 93' ' ' THR . 1.1 m -69.62 -154.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.919 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -100.7 -71.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' HA ' HG22 ' A' ' 67' ' ' THR . 4.0 t0 -56.41 -8.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.484 ' H ' ' C ' ' A' ' 63' ' ' LEU . 2.1 p -74.97 -3.72 33.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.871 HD12 ' N ' ' A' ' 67' ' ' THR . 3.9 pp -175.21 -39.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.892 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.1 t -41.71 151.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -51.94 -23.54 5.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.892 ' H ' HG23 ' A' ' 67' ' ' THR . 2.7 tttm -48.16 -39.62 21.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -52.69 59.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.59 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.11 -43.39 63.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.675 ' HB3' HD21 ' A' ' 81' ' ' LEU . 2.1 tt0 -67.36 -43.72 80.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.496 ' CA ' HD11 ' A' ' 81' ' ' LEU . 2.6 tt0 -49.62 -34.74 18.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.631 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 6.7 tt0 -92.42 20.37 6.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' GLU . 7.1 t-20 -142.56 -62.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.531 ' N ' ' O ' ' A' ' 72' ' ' GLU . 33.6 mmt -90.27 178.31 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.49 HG23 ' H ' ' A' ' 80' ' ' GLU . 1.4 t -87.38 178.82 6.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.488 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.9 OUTLIER -67.77 -38.3 83.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.1 m -56.55 -56.57 19.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.49 ' H ' HG23 ' A' ' 77' ' ' THR . 3.1 mt-10 -54.38 -45.53 72.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.704 HD22 ' CG ' ' A' ' 69' ' ' LYS . 6.6 mt -60.34 -31.15 70.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -35.66 70.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -53.6 31.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.569 HG12 ' HE2' ' A' ' 9' ' ' PHE . 5.1 m -62.88 -44.27 99.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.854 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.0 mm -56.05 -41.55 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.28 -26.96 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.615 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -79.54 -27.8 41.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.683 ' CD1' ' CE1' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -88.65 -57.27 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.727 ' OH ' HD13 ' A' ' 25' ' ' ILE . 7.2 p90 164.78 146.57 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.4 Cg_endo -74.99 -163.66 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.27 115.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.919 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -115.2 52.32 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 110.28 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.622 ' C ' HG23 ' A' ' 62' ' ' THR . 22.3 p -132.51 152.74 51.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.424 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.603 ' N ' HG23 ' A' ' 62' ' ' THR . 7.5 mt-30 -34.32 144.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -161.83 -178.12 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.547 ' O ' HG23 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -76.43 141.85 41.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.093 . . . . 0.0 111.008 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.858 ' O ' HD13 ' A' ' 98' ' ' ILE . 52.9 t -130.23 134.42 62.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.947 HG23 ' OG1' ' A' ' 58' ' ' THR . 3.9 mm -127.75 121.72 57.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.88 ' CG ' HG23 ' A' ' 23' ' ' ILE . 12.0 tt0 -95.27 133.82 38.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.606 ' CE2' HG21 ' A' ' 24' ' ' THR . 23.7 p90 -148.96 169.08 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.423 ' HE2' HD23 ' A' ' 103' ' ' LEU . 19.3 pttm -136.04 157.73 46.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -91.38 125.3 36.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.575 HD11 ' HB2' ' A' ' 54' ' ' GLU . 11.5 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.2 mtt . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.506 0.193 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -135.33 123.28 15.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 175.78 10.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 6' ' ' ILE . 10.2 t-20 -56.78 173.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -115.88 -37.79 3.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.558 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 6.4 tt -154.83 135.71 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -102.94 161.67 13.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.619 ' CD1' HG23 ' A' ' 41' ' ' VAL . 53.0 m-85 -146.17 114.89 6.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.71 ' HE2' HG12 ' A' ' 84' ' ' VAL . 6.9 t80 -48.97 166.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.428 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.5 OUTLIER -53.82 -45.36 70.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.04 -47.74 83.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -39.62 93.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.728 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -64.89 -46.33 82.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 110.255 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -57.54 -46.58 83.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.57 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -55.96 -47.23 78.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' A' ' 13' ' ' GLN . 17.1 mt -56.08 -42.7 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.805 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.97 -24.46 62.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -75.31 -6.81 51.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . 84.01 -46.24 3.62 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 19' ' ' GLY . 4.3 mtt180 -38.2 100.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.35 156.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 m -152.89 151.13 30.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.406 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.916 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -97.01 154.12 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.887 ' O ' HG13 ' A' ' 97' ' ' VAL . 18.2 p -124.71 173.73 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.642 HG13 HG22 ' A' ' 97' ' ' VAL . 3.8 mp -132.72 135.04 57.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.551 ' NH1' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -136.45 171.0 15.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.253 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' SER . 16.6 t0 -97.89 130.42 44.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 4.4 tp10 -47.16 -47.86 23.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.435 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 7.4 p -56.59 -21.12 24.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.4 mt-10 -129.48 27.45 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' ASP . 4.9 t -128.67 96.56 4.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.021 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -149.13 114.51 5.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.583 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -178.19 -156.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.84 165.21 28.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.6 m -85.55 167.27 15.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.02 13.73 60.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.629 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -100.61 -171.66 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.336 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.65 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -99.84 149.55 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.791 HD12 HG22 ' A' ' 55' ' ' VAL . 9.3 mt -135.15 112.47 10.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.08 130.82 48.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.812 HG13 ' HB2' ' A' ' 51' ' ' CYS . 3.0 p -115.15 134.57 57.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -152.98 134.43 4.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -91.02 126.52 36.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -73.29 -25.85 60.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.97 -40.37 2.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 5.1 p-10 -112.86 -50.52 2.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER 165.2 -26.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.42 ' HA2' ' N ' ' A' ' 43' ' ' ARG . . . 149.89 135.83 2.5 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.613 ' CD2' ' SG ' ' A' ' 51' ' ' CYS . 1.4 t80 -83.55 -6.23 59.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 55.44 52.84 10.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.812 ' HB2' HG13 ' A' ' 41' ' ' VAL . 97.7 m -114.99 -172.01 2.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.275 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.65 HG22 HG13 ' A' ' 38' ' ' VAL . 8.1 m -151.31 151.33 31.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.84 HD13 ' CD2' ' A' ' 100' ' ' PHE . 1.1 pp -138.7 172.45 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.704 ' N ' HD12 ' A' ' 53' ' ' ILE . 3.1 mt-10 -121.19 137.53 54.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.791 HG22 HD12 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -71.09 156.26 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.404 HG22 ' C ' ' A' ' 99' ' ' GLU . 6.8 t -128.7 -43.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.071 . . . . 0.0 110.363 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -155.43 169.74 23.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.894 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.3 m -149.8 150.2 31.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.421 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.39 169.45 24.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.486 ' C ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -112.49 108.75 17.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.508 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -157.16 173.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 94' ' ' GLN . 1.1 m -70.78 -153.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.781 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.8 OUTLIER -101.54 -71.62 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.497 ' OD1' ' CE ' ' A' ' 69' ' ' LYS . 1.8 t0 -58.49 -8.76 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.364 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.467 HG23 ' HB ' ' A' ' 62' ' ' THR . 1.1 p -71.32 -8.3 52.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.572 HD13 ' HB ' ' A' ' 23' ' ' ILE . 2.0 pp -170.8 -40.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.922 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -42.05 154.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.4 -23.73 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.922 ' H ' HG23 ' A' ' 67' ' ' THR . 30.5 tttt -48.14 -30.29 4.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -75.86 -51.23 12.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.607 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.13 -52.6 62.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.651 ' HB3' HD21 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -64.17 -41.93 96.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.62 ' CA ' HD11 ' A' ' 81' ' ' LEU . 4.6 tt0 -48.43 -35.68 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.0 26.32 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.4 m-20 -147.5 -62.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.551 ' N ' ' O ' ' A' ' 72' ' ' GLU . 25.4 mmt -90.48 178.19 6.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.468 HG23 ' H ' ' A' ' 80' ' ' GLU . 8.0 t -85.71 -179.94 6.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.58 -38.19 70.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -55.36 34.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.468 ' H ' HG23 ' A' ' 77' ' ' THR . 1.5 mt-10 -54.15 -47.09 72.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.651 HD21 ' HB3' ' A' ' 72' ' ' GLU . 9.8 mt -58.33 -32.9 68.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.03 -35.08 71.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -54.06 32.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.71 HG12 ' HE2' ' A' ' 9' ' ' PHE . 4.7 m -62.72 -46.5 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.645 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.9 mm -55.3 -40.29 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.88 -26.18 62.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.618 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -81.16 -28.11 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.697 HG23 ' CG ' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -85.83 -57.54 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.697 ' CG ' HG23 ' A' ' 88' ' ' ILE . 2.9 p90 162.89 153.42 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.24 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.442 1.759 . . . . 0.0 111.039 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.501 ' O ' ' CD2' ' A' ' 63' ' ' LEU . . . 84.93 111.92 0.68 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.552 1.158 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.781 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -116.12 40.08 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.537 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 23.6 p -135.98 152.4 50.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.524 ' N ' HG23 ' A' ' 62' ' ' THR . 5.3 mt-30 -33.75 145.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' A' ' 93' ' ' THR . 8.4 m-85 -161.5 -178.14 6.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.61 134.08 36.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.887 HG13 ' O ' ' A' ' 24' ' ' THR . 74.7 t -119.14 130.3 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.894 HG23 ' OG1' ' A' ' 58' ' ' THR . 3.8 mm -120.4 123.43 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.916 ' CG ' HG23 ' A' ' 23' ' ' ILE . 11.3 tt0 -97.13 144.34 27.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.84 ' CD2' HD13 ' A' ' 53' ' ' ILE . 9.0 p90 -148.77 172.08 15.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.426 ' HE2' HD23 ' A' ' 103' ' ' LEU . 10.3 pttm -147.2 150.25 34.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.2 t -92.85 126.15 37.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.426 HD23 ' HE2' ' A' ' 101' ' ' LYS . 7.2 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.452 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 1.7 t30 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.508 ' OD2' ' CE2' ' A' ' 33' ' ' PHE . 5.4 m-20 -94.42 -53.63 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 1.046 HD12 ' NE ' ' A' ' 26' ' ' ARG . 10.1 tt -150.61 142.76 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.577 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 2.3 p -104.94 176.34 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.425 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.843 ' CD1' HG23 ' A' ' 41' ' ' VAL . 45.8 m-85 -162.19 117.46 1.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.606 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 6.8 t80 -37.41 155.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.411 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -49.37 -47.55 47.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.254 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.581 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 4.2 mtt180 -59.33 -47.97 83.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -65.01 -38.08 89.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -46.39 84.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -59.12 -48.58 81.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -36.49 74.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.3 mt -64.07 -45.27 97.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.487 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.16 -24.64 59.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.84 7.93 19.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 76.21 -120.27 5.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER 43.01 94.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 110.227 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.92 148.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.9 m -150.51 155.66 39.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.574 HG23 ' CB ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -96.46 155.93 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.915 ' O ' HG13 ' A' ' 97' ' ' VAL . 21.6 p -123.12 173.68 7.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.874 HG13 HG22 ' A' ' 97' ' ' VAL . 3.2 mp -136.53 129.38 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 1.046 ' NE ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -131.08 172.0 12.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.436 ' OD2' ' N ' ' A' ' 28' ' ' GLU . 16.6 t0 -108.65 129.72 55.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.436 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 2.3 tp10 -49.54 -44.49 46.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 t -60.89 -14.84 24.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' SER . 1.8 mt-10 -122.94 17.42 10.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.04 104.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.996 ' CD2' HH21 ' A' ' 26' ' ' ARG . 0.0 OUTLIER -85.29 -138.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.508 ' CE2' ' OD2' ' A' ' 5' ' ' ASP . 1.5 m-85 -54.54 -167.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.052 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.656 ' O ' HG21 ' A' ' 55' ' ' VAL . 12.6 mttt -138.55 -172.6 3.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.4 m -72.09 162.79 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.04 14.04 37.08 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.555 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -115.59 -170.12 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.661 HG13 HG22 ' A' ' 52' ' ' THR . 1.0 OUTLIER -105.27 143.55 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.504 HD12 HG22 ' A' ' 55' ' ' VAL . 17.3 mt -124.43 104.6 8.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.35 119.97 10.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.843 HG23 ' CD1' ' A' ' 8' ' ' PHE . 9.8 p -100.12 147.39 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.8 147.37 9.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.407 ' CG ' ' HA ' ' A' ' 10' ' ' GLN . 2.4 ttm180 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 110.255 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.661 HG22 HG13 ' A' ' 38' ' ' VAL . 1.3 m -120.43 142.46 49.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.717 HD13 ' CD1' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -130.57 172.66 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -124.72 142.8 51.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.656 HG21 ' O ' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -74.28 160.68 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.5 t -131.35 -41.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -154.13 169.29 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.984 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.9 m -146.15 151.3 37.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.376 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.2 169.37 24.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.952 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.478 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -115.75 108.45 16.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.37 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.496 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -156.24 172.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.481 ' HB ' HG23 ' A' ' 65' ' ' THR . 1.3 m -70.04 -153.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.9 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -100.54 -72.81 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.505 ' HA ' HG22 ' A' ' 67' ' ' THR . 2.5 t0 -56.33 -11.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.481 HG23 ' HB ' ' A' ' 62' ' ' THR . 1.2 p -68.17 -8.49 39.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.368 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.692 HD21 HG21 ' A' ' 97' ' ' VAL . 1.6 pp -170.51 -39.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.919 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.3 t -42.0 153.6 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.72 -23.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.966 ' HD2' HD11 ' A' ' 85' ' ' ILE . 63.5 tttt -49.03 -30.76 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -54.69 11.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.579 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.63 -36.1 69.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -72.37 -45.02 61.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.5 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -50.33 -36.57 32.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.14 27.94 4.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.34 -61.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.558 ' N ' ' O ' ' A' ' 72' ' ' GLU . 13.2 mmt -90.45 177.37 6.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 7.0 t -89.72 -175.37 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.437 ' N ' ' OG1' ' A' ' 77' ' ' THR . 4.9 mp -66.72 -38.86 87.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 49.7 m -56.07 -53.18 60.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.424 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.26 -43.83 92.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.504 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -58.9 -38.36 78.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -72.52 -29.22 63.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.338 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -52.96 28.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 81' ' ' LEU . 6.1 m -63.43 -44.04 98.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.966 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.8 mm -57.35 -40.34 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.27 -25.92 60.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.606 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -80.51 -28.13 37.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.635 ' O ' ' HB3' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -87.95 -57.54 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.635 ' HB3' ' O ' ' A' ' 88' ' ' ILE . 5.9 p90 162.33 150.83 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.92 17.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.8 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.15 119.8 1.78 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.9 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -116.05 53.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 110.27 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' GLN . 42.9 p -122.21 152.67 39.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.153 . . . . 0.0 110.436 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.435 ' N ' HG23 ' A' ' 62' ' ' THR . 9.9 mt-30 -37.68 150.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.496 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -161.43 -178.25 6.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -85.55 132.49 34.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.915 HG13 ' O ' ' A' ' 24' ' ' THR . 74.2 t -117.35 133.29 64.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.984 HG23 ' OG1' ' A' ' 58' ' ' THR . 2.6 mm -125.03 126.01 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.574 ' CB ' HG23 ' A' ' 23' ' ' ILE . 7.7 tt0 -96.0 146.95 24.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.377 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.717 ' CD1' HD13 ' A' ' 53' ' ' ILE . 5.2 p90 -147.98 166.33 28.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.84 152.1 46.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.3 t -91.47 108.66 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 108.294 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 6' ' ' ILE . 18.3 t-20 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.487 ' CG ' ' CE2' ' A' ' 33' ' ' PHE . 1.7 m-20 -94.18 -45.94 7.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.659 HD13 ' NH1' ' A' ' 26' ' ' ARG . 1.3 tt -163.41 139.29 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 2.6 p -101.49 174.85 5.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.397 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.544 ' CE1' HG12 ' A' ' 41' ' ' VAL . 55.7 m-85 -155.78 130.4 9.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.613 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 7.4 t80 -42.44 162.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.51 -53.18 49.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.577 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 7.4 mtp180 -50.05 -49.09 52.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 68' ' ' GLU . 4.2 m-85 -64.07 -40.11 95.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -49.63 75.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.628 ' HA ' HD23 ' A' ' 17' ' ' LEU . 2.9 t70 -59.38 -45.57 91.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.66 -39.1 64.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.505 HG12 ' CZ ' ' A' ' 100' ' ' PHE . 5.3 mt -67.73 -46.35 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.628 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.85 -25.02 62.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.87 -1.85 27.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.86 60.61 8.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.448 1.093 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -124.25 96.43 4.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 110.294 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -38.63 101.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.33 158.71 27.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.839 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -99.69 152.96 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.908 ' O ' HG13 ' A' ' 97' ' ' VAL . 64.1 p -118.72 175.1 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.595 HD11 ' CB ' ' A' ' 67' ' ' THR . 4.0 mp -127.32 140.36 49.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.659 ' NH1' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -141.39 171.75 13.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -107.98 134.21 51.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -55.77 -40.98 73.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.6 p -61.53 -14.77 32.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -119.06 9.29 11.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.26 114.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.412 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -108.86 -135.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.589 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.487 ' CE2' ' CG ' ' A' ' 5' ' ' ASP . 40.6 m-85 -47.88 177.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.571 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -132.44 -164.64 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.3 m -71.23 149.06 46.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.09 -15.39 44.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.638 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -86.26 -169.4 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.712 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -108.83 147.38 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.7 mt -127.8 109.13 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.532 ' HG3' HG23 ' A' ' 52' ' ' THR . 6.6 ttt85 -75.75 122.16 23.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.544 HG12 ' CE1' ' A' ' 8' ' ' PHE . 7.0 m -95.05 124.07 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 7' ' ' THR . . . -135.55 121.79 2.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 110.254 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 35.9 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.712 HG22 HG13 ' A' ' 38' ' ' VAL . 1.5 m -124.4 151.75 44.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.609 HD11 ' CG ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -143.99 172.05 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -114.14 150.86 33.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.3 OUTLIER -76.24 154.04 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.352 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.425 HG22 ' N ' ' A' ' 100' ' ' PHE . 4.5 t -123.36 -41.09 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.381 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.64 169.71 23.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.951 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.2 m -148.4 149.46 31.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.58 167.84 29.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.051 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.533 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -112.0 110.72 21.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 60' ' ' THR . 0.2 OUTLIER -157.11 171.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.556 HG23 ' N ' ' A' ' 94' ' ' GLN . 1.4 m -68.18 -153.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.392 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.707 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -100.47 -71.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.433 ' HA ' HG22 ' A' ' 67' ' ' THR . 5.5 t0 -57.25 -9.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.453 ' OG1' ' C ' ' A' ' 62' ' ' THR . 1.2 p -71.66 -5.45 33.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.961 HD12 ' N ' ' A' ' 67' ' ' THR . 3.6 pp -172.54 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.961 ' N ' HD12 ' A' ' 66' ' ' LEU . 1.2 t -42.83 153.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -49.13 -23.6 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.423 1.077 . . . . 0.0 110.264 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.943 ' H ' HG23 ' A' ' 67' ' ' THR . 37.7 tttt -48.2 -32.41 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -67.63 -54.79 16.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.638 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.51 -38.32 71.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -69.61 -44.83 69.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.537 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -51.02 -35.03 32.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.63 28.75 4.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.403 ' HB3' ' HE3' ' A' ' 76' ' ' MET . 3.6 t-20 -148.11 -59.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.513 ' N ' ' O ' ' A' ' 72' ' ' GLU . 27.8 mmt -90.53 177.59 6.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.518 ' O ' HD23 ' A' ' 81' ' ' LEU . 8.1 t -92.89 171.67 8.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -38.05 66.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.489 ' HB ' HG23 ' A' ' 77' ' ' THR . 0.9 OUTLIER -56.25 -57.76 10.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.411 ' OE1' ' SD ' ' A' ' 76' ' ' MET . 3.2 mt-10 -56.38 -46.26 80.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.537 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -54.45 -37.91 65.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -31.35 65.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -53.37 37.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.481 HG12 ' HE2' ' A' ' 9' ' ' PHE . 5.3 m -62.9 -43.92 99.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.942 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.5 mm -57.05 -39.19 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.19 -26.61 60.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.613 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -80.08 -27.61 39.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.632 HG23 ' CG ' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -88.36 -57.64 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.632 ' CG ' HG23 ' A' ' 88' ' ' ILE . 7.7 p90 165.11 148.02 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.3 Cg_endo -75.01 -179.26 4.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.81 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.62 113.95 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.707 ' HA ' HD21 ' A' ' 63' ' ' LEU . 2.9 tm0? -110.2 88.68 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.49 ' C ' HG23 ' A' ' 62' ' ' THR . 15.1 p -149.48 152.6 35.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.556 ' N ' HG23 ' A' ' 62' ' ' THR . 4.7 mt-30 -34.71 144.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.516 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -161.9 -178.75 6.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 111.006 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.468 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.1 OUTLIER -79.29 141.88 36.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.908 HG13 ' O ' ' A' ' 24' ' ' THR . 61.2 t -128.98 134.93 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.951 HG23 ' OG1' ' A' ' 58' ' ' THR . 4.9 mm -127.56 128.67 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.839 ' CG ' HG23 ' A' ' 23' ' ' ILE . 14.0 tt0 -96.17 153.74 17.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.586 1.179 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.609 ' CG ' HD11 ' A' ' 53' ' ' ILE . 6.7 p90 -143.18 174.16 10.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -152.51 148.51 27.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.5 t -92.68 130.62 38.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 108.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.435 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 2.8 t30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.435 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 3.1 m-20 -93.43 -53.08 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.518 HG21 ' NH2' ' A' ' 26' ' ' ARG . 14.6 tt -164.04 164.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.586 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -138.9 167.85 21.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.634 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -154.18 162.2 41.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.638 ' CD2' HD12 ' A' ' 88' ' ' ILE . 7.7 p90 -40.23 163.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -37.06 84.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 7.5 mtp-105 -52.65 -19.82 2.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.624 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -79.6 -42.04 25.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -42.14 94.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -69.4 -47.66 63.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -62.73 -31.77 72.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.4 mt -66.89 -47.0 83.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.469 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -57.73 -24.68 58.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.33 1.28 25.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 75.46 -130.98 11.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER 42.96 94.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -37.94 152.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -144.22 145.74 32.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.82 HG23 ' CB ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -95.39 159.2 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.902 ' O ' HG13 ' A' ' 97' ' ' VAL . 73.1 p -128.43 171.87 11.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.901 HG13 HG22 ' A' ' 97' ' ' VAL . 5.2 mp -127.78 129.46 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.518 ' NH2' HG21 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -125.14 171.78 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' SER . 6.2 t0 -96.09 129.67 43.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.403 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 6.7 tp10 -47.41 -47.53 26.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -60.74 -23.17 64.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.955 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 27' ' ' ASP . 9.5 mm-40 -121.56 28.29 7.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.506 ' OG ' ' CD2' ' A' ' 96' ' ' TYR . 0.1 OUTLIER -114.73 93.7 4.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -149.66 114.99 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.532 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -176.41 -147.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.07 149.34 15.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.7 m -71.3 158.96 35.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.2 -14.67 48.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.556 ' O ' HG23 ' A' ' 55' ' ' VAL . 4.3 m-20 -73.95 -175.81 2.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.767 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -105.21 137.25 35.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' ILE . 12.5 mt -117.22 103.98 10.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 128.61 36.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.567 HG23 ' CD1' ' A' ' 8' ' ' PHE . 7.4 p -118.45 160.57 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.97 -122.18 0.59 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 35.2 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 m -133.79 153.87 51.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.692 HD12 ' CE1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -142.77 173.02 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 100' ' ' PHE . 4.0 tt0 -124.98 144.43 50.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 0.0 110.27 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -74.25 150.92 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.419 HG22 ' C ' ' A' ' 99' ' ' GLU . 4.9 t -127.42 -44.19 1.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.85 169.26 23.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.829 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.8 m -144.55 150.54 37.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.46 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.28 168.25 27.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.495 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -115.78 110.57 19.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.509 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.28 173.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.465 ' HB ' HG23 ' A' ' 65' ' ' THR . 1.3 m -67.83 -153.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.457 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -100.26 -71.52 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.446 ' HA ' HG22 ' A' ' 67' ' ' THR . 5.5 t0 -57.9 -9.52 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.465 HG23 ' HB ' ' A' ' 62' ' ' THR . 1.2 p -70.74 -6.6 38.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.366 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.708 HD21 HG21 ' A' ' 97' ' ' VAL . 2.4 pp -171.69 -40.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.93 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -42.6 153.78 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.369 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -47.68 -23.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.93 ' H ' HG23 ' A' ' 67' ' ' THR . 28.7 tttt -49.38 -29.63 6.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -72.26 -54.48 9.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.82 76.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.504 ' HB3' HD21 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -65.07 -43.36 92.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.622 ' N ' HD11 ' A' ' 81' ' ' LEU . 6.9 tt0 -49.8 -36.66 27.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.1 30.07 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -148.5 -59.45 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 72' ' ' GLU . 22.7 mmt -90.55 177.99 6.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.482 HG23 ' H ' ' A' ' 80' ' ' GLU . 1.3 t -86.13 176.05 8.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.433 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.464 ' N ' ' OG1' ' A' ' 77' ' ' THR . 8.0 mp -66.12 -37.52 85.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -56.77 -51.93 67.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.482 ' H ' HG23 ' A' ' 77' ' ' THR . 2.3 mt-10 -58.78 -47.78 83.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.622 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -56.77 -38.54 72.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -28.91 64.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -52.65 33.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 81' ' ' LEU . 4.6 m -65.21 -44.35 95.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.928 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.6 mm -56.31 -41.25 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.73 -29.75 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.13 -26.51 56.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.64 HG23 ' CG ' ' A' ' 89' ' ' TYR . 0.8 OUTLIER -92.75 -57.74 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.64 ' CG ' HG23 ' A' ' 88' ' ' ILE . 1.9 p90 160.26 162.18 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 91' ' ' GLY . 18.1 Cg_endo -75.05 -90.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.811 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 90' ' ' PRO . . . 32.88 91.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.43 ' C ' ' CG2' ' A' ' 93' ' ' THR . 0.0 OUTLIER -101.21 49.51 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.572 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 20.0 p -150.46 152.42 34.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 110.355 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.2 tt0 -36.21 150.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.572 ' CD2' ' O ' ' A' ' 93' ' ' THR . 10.5 m-85 -159.02 -178.52 7.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.506 ' CD2' ' OG ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -78.63 149.16 32.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.902 HG13 ' O ' ' A' ' 24' ' ' THR . 74.0 t -136.45 130.27 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.829 HG23 ' OG1' ' A' ' 58' ' ' THR . 4.4 mm -123.2 127.27 74.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.82 ' CB ' HG23 ' A' ' 23' ' ' ILE . 12.4 tt0 -95.84 147.18 23.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.692 ' CE1' HD12 ' A' ' 53' ' ' ILE . 3.4 p90 -148.26 165.06 32.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -131.42 154.81 48.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 9.1 t -91.76 105.28 17.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 1.8 t30 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 3.7 m-20 -94.6 -52.18 4.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.812 HD12 ' NH1' ' A' ' 26' ' ' ARG . 14.7 tt -151.1 141.8 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.582 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.9 p -101.36 171.48 7.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.441 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.958 ' CD2' HG23 ' A' ' 41' ' ' VAL . 57.7 m-85 -162.21 123.1 2.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.614 ' CE1' ' OD1' ' A' ' 87' ' ' ASP . 7.5 t80 -52.38 161.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.421 ' HA ' ' CG ' ' A' ' 43' ' ' ARG . 1.8 tt0 -50.34 -48.12 55.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.571 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 6.6 mtp180 -54.29 -49.06 70.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 68' ' ' GLU . 6.8 m-85 -63.06 -39.14 93.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.473 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -60.08 -48.95 79.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -58.3 -45.74 87.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -28.76 70.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 100' ' ' PHE . 19.7 mt -71.5 -46.42 63.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.647 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.52 -24.58 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.37 -5.93 47.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.25 45.99 94.52 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -107.13 100.71 10.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.756 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -38.8 102.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -120.65 150.36 41.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.61 ' H ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -95.86 160.36 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.845 ' O ' HG13 ' A' ' 97' ' ' VAL . 64.7 p -131.28 173.75 10.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.737 HG13 HG22 ' A' ' 97' ' ' VAL . 4.7 mp -129.81 137.64 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.812 ' NH1' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -135.72 171.15 14.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.578 ' HA ' ' CE1' ' A' ' 95' ' ' PHE . 17.4 t0 -97.35 129.71 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -50.18 -45.13 53.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.0 p -57.22 -17.53 11.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.026 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -129.18 16.91 6.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -107.2 95.22 5.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.78 114.11 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.589 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -179.14 -146.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 111.052 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.84 151.51 23.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.0 m -73.85 165.35 25.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.69 14.41 72.58 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -104.17 -170.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.774 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.687 HG13 ' CG2' ' A' ' 52' ' ' THR . 1.2 t -100.83 149.85 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.606 HD12 HG22 ' A' ' 55' ' ' VAL . 15.2 mt -135.59 103.41 5.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.75 127.85 27.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.958 HG23 ' CD2' ' A' ' 8' ' ' PHE . 7.2 p -116.83 144.57 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.17 146.09 8.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.421 ' CG ' ' HA ' ' A' ' 10' ' ' GLN . 2.1 ttp180 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 47.1 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.687 ' CG2' HG13 ' A' ' 38' ' ' VAL . 77.3 m -132.62 151.53 51.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.624 HD12 ' CD1' ' A' ' 100' ' ' PHE . 3.8 pt -132.52 173.31 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -117.27 144.34 44.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -71.31 156.01 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.4 HG22 ' C ' ' A' ' 99' ' ' GLU . 14.4 t -127.8 -42.55 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -160.59 169.15 23.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.954 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.2 m -149.17 151.76 34.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.3 168.68 26.57 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.165 . . . . 0.0 110.058 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.509 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -111.99 106.54 15.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.394 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.524 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.08 172.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.502 HG23 ' N ' ' A' ' 94' ' ' GLN . 0.4 OUTLIER -67.89 -152.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.427 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.701 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -103.64 -70.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.46 ' HA ' HG22 ' A' ' 67' ' ' THR . 0.5 OUTLIER -56.69 -9.07 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.467 ' H ' ' C ' ' A' ' 63' ' ' LEU . 1.0 OUTLIER -74.85 -3.81 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.426 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.776 HD21 HG21 ' A' ' 97' ' ' VAL . 2.5 pp -172.4 -40.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.954 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -43.93 154.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -50.78 -22.66 2.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.954 ' H ' HG23 ' A' ' 67' ' ' THR . 70.7 tttt -48.77 -32.67 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -66.87 -54.86 18.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.606 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.99 -36.37 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.572 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -71.52 -45.1 63.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.47 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -49.79 -36.43 26.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.75 29.3 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -149.25 -60.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.572 ' N ' ' O ' ' A' ' 72' ' ' GLU . 28.4 mmt -90.82 177.88 6.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.447 ' O ' HD23 ' A' ' 81' ' ' LEU . 7.6 t -86.97 -174.5 4.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.439 ' N ' ' OG1' ' A' ' 77' ' ' THR . 4.3 mp -70.4 -38.93 74.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.4 -52.46 64.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.405 ' OE1' ' SD ' ' A' ' 76' ' ' MET . 2.8 mt-10 -57.14 -43.88 82.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.544 HD13 ' CG ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -57.97 -39.01 77.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -70.28 -31.0 68.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -66.12 -53.16 41.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 81' ' ' LEU . 8.8 m -61.92 -38.22 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.524 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -61.48 -37.76 78.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.3 -25.81 55.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.614 ' OD1' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -80.1 -30.03 39.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.626 HG23 ' CD2' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -84.3 -57.81 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.626 ' CD2' HG23 ' A' ' 88' ' ' ILE . 8.8 p90 166.39 145.73 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.4 Cg_endo -75.01 130.99 13.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.506 1.793 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 128.24 121.03 2.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.701 ' HA ' HD21 ' A' ' 63' ' ' LEU . 7.5 tm0? -115.79 72.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.249 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 94' ' ' GLN . 14.9 p -147.24 152.36 38.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.502 ' N ' HG23 ' A' ' 62' ' ' THR . 32.7 mt-30 -35.42 144.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.578 ' CE1' ' HA ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -161.36 -178.14 6.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.425 ' HD2' HD11 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -80.2 139.74 36.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.907 ' C ' HD13 ' A' ' 98' ' ' ILE . 71.8 t -125.3 129.49 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.954 HG23 ' OG1' ' A' ' 58' ' ' THR . 2.6 mm -122.6 130.77 74.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.528 ' CB ' HG23 ' A' ' 23' ' ' ILE . 1.6 tt0 -97.15 155.87 16.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' A' ' 53' ' ' ILE . 5.4 p90 -148.67 157.0 43.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.709 ' HE2' HD23 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -146.51 146.82 30.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.4 t -92.18 123.33 35.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 108.311 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.709 HD23 ' HE2' ' A' ' 101' ' ' LYS . 5.3 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.442 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.442 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 56.1 m-20 -99.28 -51.42 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.78 HD12 ' NE ' ' A' ' 26' ' ' ARG . 7.8 tt -139.65 143.95 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.598 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -107.71 166.76 10.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 7' ' ' THR . 8.3 m-85 -154.05 114.24 3.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.628 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 6.6 t80 -37.16 156.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.51 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -47.86 -51.59 22.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.579 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 19.9 mtp85 -54.36 -45.09 72.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.94 -39.26 93.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -48.38 81.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.457 ' HA ' HD23 ' A' ' 17' ' ' LEU . 7.2 t70 -60.16 -48.43 81.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -53.88 -36.81 63.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.24 -44.19 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.62 -26.94 64.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.47 7.79 18.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 75.85 -126.25 8.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER 41.66 93.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 0.787 . . . . 0.0 110.311 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.88 147.04 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.1 m -140.35 149.79 43.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.375 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.787 HG23 ' CB ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -96.91 156.45 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.909 ' O ' HG13 ' A' ' 97' ' ' VAL . 31.0 p -125.42 173.21 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.756 HG13 HG22 ' A' ' 97' ' ' VAL . 4.1 mp -132.68 135.56 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.78 ' NE ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -132.62 172.03 13.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.424 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 35.9 t0 -104.13 127.19 51.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -50.07 -40.04 44.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.405 ' OG ' ' CG ' ' A' ' 27' ' ' ASP . 90.6 p -60.95 -18.41 56.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -119.41 17.11 13.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -38.91 131.07 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.623 ' NE2' HD21 ' A' ' 39' ' ' LEU . 30.6 p-80 -114.59 -138.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.544 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 1.8 m-30 -62.2 -168.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.464 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -134.42 -164.74 1.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.3 m -74.25 148.86 41.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.432 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.31 -15.98 57.08 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -85.1 -169.71 2.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.53 HG13 ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -109.25 145.1 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.623 HD21 ' NE2' ' A' ' 32' ' ' HIS . 20.3 mt -126.77 109.29 11.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.94 114.41 8.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.4 p -86.75 147.03 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -156.26 -134.44 1.81 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.585 0.815 . . . . 0.0 110.33 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.53 ' CG2' HG13 ' A' ' 38' ' ' VAL . 25.2 m -129.79 149.13 51.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.955 HD11 ' HB2' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -144.0 169.8 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.751 ' N ' HD12 ' A' ' 53' ' ' ILE . 3.6 tt0 -112.13 137.23 50.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -58.95 159.98 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.241 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.473 HG22 ' C ' ' A' ' 99' ' ' GLU . 8.9 t -123.99 -40.4 2.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.82 169.37 18.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.934 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.6 m -146.14 150.7 36.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.14 168.35 27.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.962 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.526 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -113.54 106.37 14.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.54 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -158.52 173.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.281 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.747 ' OG1' HG21 ' A' ' 65' ' ' THR . 0.2 OUTLIER -68.87 -153.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.515 ' O ' ' HB ' ' A' ' 67' ' ' THR . 0.6 OUTLIER -102.5 -67.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.451 ' OD1' ' CG ' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -64.68 -7.17 9.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.381 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.747 HG21 ' OG1' ' A' ' 62' ' ' THR . 0.7 OUTLIER -73.46 -6.83 48.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.76 HD12 ' N ' ' A' ' 67' ' ' THR . 4.1 pp -167.76 -46.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.928 HG23 ' H ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -43.38 150.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.4 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.69 -24.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.928 ' H ' HG23 ' A' ' 67' ' ' THR . 0.1 OUTLIER -46.6 -30.65 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 5.4 t60 -63.11 -52.15 63.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.639 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.57 -43.48 84.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 76' ' ' MET . 6.6 tt0 -63.74 -43.42 96.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.506 ' N ' HD11 ' A' ' 81' ' ' LEU . 1.2 tt0 -53.77 -37.08 63.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.33 27.19 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -144.07 -60.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.546 ' N ' ' O ' ' A' ' 72' ' ' GLU . 14.0 mmt -90.66 177.32 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.447 HG23 ' HB ' ' A' ' 79' ' ' THR . 4.2 t -92.19 176.94 6.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.403 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.408 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.2 OUTLIER -61.64 -35.89 79.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.447 ' HB ' HG23 ' A' ' 77' ' ' THR . 1.2 m -56.56 -49.83 73.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.51 -49.64 68.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.506 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -53.41 -38.14 63.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -70.48 -37.68 74.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -52.79 63.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.511 HG12 ' CE2' ' A' ' 9' ' ' PHE . 17.2 m -64.8 -37.32 79.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.46 ' O ' HG22 ' A' ' 88' ' ' ILE . 1.2 mm -58.49 -36.84 61.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.7 -33.38 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.628 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -71.29 -31.98 68.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.645 HG23 ' CG ' ' A' ' 89' ' ' TYR . 0.5 OUTLIER -83.47 -57.38 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.645 ' CG ' HG23 ' A' ' 88' ' ' ILE . 8.3 p90 163.43 145.73 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 142.25 27.87 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 117.94 117.59 2.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.474 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -115.48 68.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.27 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.0 p -142.14 152.54 43.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.415 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.72 ' N ' HG23 ' A' ' 62' ' ' THR . 2.8 mt-30 -41.87 143.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.54 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -161.96 -177.62 5.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -73.62 142.49 46.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.964 ' C ' HD13 ' A' ' 98' ' ' ILE . 66.9 t -130.96 128.36 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.964 HD13 ' C ' ' A' ' 97' ' ' VAL . 1.9 mm -121.25 128.42 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.787 ' CB ' HG23 ' A' ' 23' ' ' ILE . 9.3 tt0 -95.28 139.14 32.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.955 ' HB2' HD11 ' A' ' 53' ' ' ILE . 24.4 p90 -138.13 152.63 48.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -159.24 155.7 27.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.6 t -91.03 128.04 36.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.82 -37.5 3.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.751 HD12 ' HD3' ' A' ' 26' ' ' ARG . 10.9 tt -162.78 139.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.4 p -106.97 168.26 9.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.405 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.562 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 65.2 m-85 -154.46 116.17 4.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.68 ' HE2' HG12 ' A' ' 84' ' ' VAL . 7.6 t80 -42.74 161.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -51.8 -54.05 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.549 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -49.86 -50.42 45.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -29.9 70.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -66.36 -48.19 70.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.952 ' HA ' HD23 ' A' ' 17' ' ' LEU . 12.0 t70 -62.2 -45.9 91.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -54.61 -43.33 72.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.0 mt -68.59 -41.46 82.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.952 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -59.91 -24.96 64.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.91 -3.91 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.99 76.01 0.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 21' ' ' LYS . 34.9 mtt180 -141.76 94.29 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 0.783 . . . . 0.0 110.328 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -38.68 101.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -119.18 159.32 24.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.858 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -96.79 153.66 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.898 ' O ' HG13 ' A' ' 97' ' ' VAL . 10.9 p -119.58 173.64 6.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.38 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.818 HG13 HG22 ' A' ' 97' ' ' VAL . 4.7 mp -132.28 138.78 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.751 ' HD3' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -139.66 172.23 13.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 31' ' ' SER . 12.9 t0 -99.78 130.1 45.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.416 ' CA ' ' OE2' ' A' ' 28' ' ' GLU . 2.7 tp10 -48.47 -44.6 35.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -56.08 -20.54 17.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.992 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -130.2 20.3 5.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -107.08 102.48 11.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -156.18 114.79 3.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -179.53 -160.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -149.49 157.98 43.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.7 m -75.59 157.11 34.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.73 -14.11 44.03 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.582 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 1.3 m-20 -75.86 -173.94 2.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.766 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -104.56 147.55 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' ' 53' ' ' ILE . 12.0 mt -126.28 116.06 20.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 115.91 9.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 51' ' ' CYS . 1.5 m -105.6 132.8 51.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.455 ' O ' ' NE2' ' A' ' 13' ' ' GLN . . . -132.66 -158.48 8.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.411 ' HD3' ' NE2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 110.252 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.429 ' O ' HG22 ' A' ' 41' ' ' VAL . 86.7 m . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.766 HG22 HG13 ' A' ' 38' ' ' VAL . 1.3 m -119.03 141.73 48.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.389 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.794 HD12 ' N ' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -132.75 171.96 17.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.794 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.3 tt0 -118.3 145.94 44.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -74.2 158.03 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.451 HG22 ' C ' ' A' ' 99' ' ' GLU . 5.5 t -129.52 -41.65 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -159.81 169.51 23.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.969 ' OG1' HG23 ' A' ' 98' ' ' ILE . 2.0 m -144.15 151.03 38.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.14 169.98 23.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.95 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.498 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -115.99 107.77 15.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.442 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.508 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.13 170.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.531 HG23 ' N ' ' A' ' 94' ' ' GLN . 1.4 m -70.29 -154.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.933 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -99.36 -73.44 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.525 ' HA ' HG22 ' A' ' 67' ' ' THR . 4.8 t0 -54.35 -12.34 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.472 ' OG1' ' C ' ' A' ' 62' ' ' THR . 1.3 p -68.98 -5.79 23.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.38 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.621 ' HB2' HD13 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -173.73 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.97 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.3 t -42.11 157.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.438 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -22.46 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.97 ' H ' HG23 ' A' ' 67' ' ' THR . 46.7 tttm -45.62 -44.62 13.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -63.28 -46.46 86.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.612 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.09 -48.62 70.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.636 ' CB ' HD21 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -66.01 -43.48 87.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -34.38 9.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.13 28.12 4.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.323 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.6 m120 -152.98 -62.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.577 ' N ' ' O ' ' A' ' 72' ' ' GLU . 15.4 mmt -90.49 178.58 6.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 8.5 t -88.62 -176.24 5.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.413 ' N ' ' OG1' ' A' ' 77' ' ' THR . 6.9 mp -71.09 -38.46 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -55.94 -54.35 45.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.54 -45.17 73.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.636 HD21 ' CB ' ' A' ' 72' ' ' GLU . 7.9 mt -59.59 -33.37 71.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -33.53 70.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.15 -52.82 30.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.68 HG12 ' HE2' ' A' ' 9' ' ' PHE . 4.4 m -63.88 -43.22 97.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.915 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.1 mm -57.77 -40.26 74.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.58 -25.16 59.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.609 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -81.11 -27.3 35.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.63 HG23 ' CD2' ' A' ' 89' ' ' TYR . 1.2 tt -89.08 -57.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.63 ' CD2' HG23 ' A' ' 88' ' ' ILE . 7.9 p90 166.88 147.88 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.3 Cg_endo -75.05 -172.46 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.25 117.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.933 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -115.41 55.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.325 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.435 ' C ' HG23 ' A' ' 62' ' ' THR . 10.0 p -128.01 152.92 47.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.414 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.531 ' N ' HG23 ' A' ' 62' ' ' THR . 34.6 mt-30 -36.11 147.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.508 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -160.62 -179.23 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.09 131.31 35.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.898 HG13 ' O ' ' A' ' 24' ' ' THR . 73.2 t -116.98 129.85 72.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.969 HG23 ' OG1' ' A' ' 58' ' ' THR . 2.8 mm -121.09 126.88 75.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.858 ' CG ' HG23 ' A' ' 23' ' ' ILE . 12.5 tt0 -97.27 147.39 24.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.643 ' HB2' HD13 ' A' ' 53' ' ' ILE . 4.4 p90 -148.65 166.07 29.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -141.36 149.65 41.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.11 -173.74 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 108.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.77 -46.78 6.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.608 HG21 HD22 ' A' ' 39' ' ' LEU . 2.8 tt -156.83 139.13 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.615 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 2.0 p -103.09 169.86 8.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.627 ' CE1' HG22 ' A' ' 41' ' ' VAL . 15.5 m-85 -151.74 130.84 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.62 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 9.6 t80 -46.07 164.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -54.06 -63.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.575 1.172 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.528 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -49.22 -37.38 22.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.686 ' CE1' HG21 ' A' ' 22' ' ' THR . 0.8 OUTLIER -62.93 -42.23 99.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.612 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -63.87 -45.18 90.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.639 ' HA ' HD23 ' A' ' 17' ' ' LEU . 10.9 t70 -57.18 -46.32 82.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.36 -45.75 87.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 13' ' ' GLN . 26.0 mt -58.71 -43.01 86.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.639 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.16 -25.35 61.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.98 8.29 18.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.7 65.59 3.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -127.54 96.73 4.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.304 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.471 ' CG ' ' HB2' ' A' ' 101' ' ' LYS . 0.7 OUTLIER -37.73 109.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.686 HG21 ' CE1' ' A' ' 12' ' ' PHE . 89.9 m -115.65 141.85 47.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.753 HG23 ' CB ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -95.15 163.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.845 ' O ' HG13 ' A' ' 97' ' ' VAL . 52.2 p -136.13 168.74 18.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.451 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.878 HG21 ' CE1' ' A' ' 95' ' ' PHE . 4.6 mp -129.08 138.02 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.764 HH21 ' CE1' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -133.03 171.84 13.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -103.62 127.77 51.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -52.45 -40.06 61.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -61.62 -14.06 27.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 31' ' ' SER . 8.6 mt-10 -121.76 14.24 10.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -36.22 119.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.764 ' CE1' HH21 ' A' ' 26' ' ' ARG . 5.8 p80 -112.02 -131.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.62 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.517 ' CE1' ' OD1' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -51.81 -170.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.652 ' O ' HG21 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -145.19 -165.08 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.6 m -77.39 148.01 35.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.89 -14.26 53.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.441 1.088 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.517 ' OD1' ' CE1' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -85.5 -168.66 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.605 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -107.14 148.22 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.608 HD22 HG21 ' A' ' 6' ' ' ILE . 20.8 mt -131.34 108.36 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.81 120.22 19.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.244 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.627 HG22 ' CE1' ' A' ' 8' ' ' PHE . 40.3 t -97.43 137.8 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.406 ' O ' ' NE2' ' A' ' 13' ' ' GLN . . . -137.03 -134.12 3.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.311 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.605 HG22 HG13 ' A' ' 38' ' ' VAL . 2.4 m -122.22 149.92 43.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.966 HD11 ' HB2' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -144.41 171.18 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.705 ' N ' HD12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -113.79 139.46 49.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.652 HG21 ' O ' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -60.15 157.07 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.421 HG21 ' CD ' ' A' ' 99' ' ' GLU . 10.6 t -121.22 -40.27 2.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.413 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.12 169.14 25.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.962 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.6 m -157.22 139.47 14.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.361 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.83 165.81 33.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.545 HG22 ' CD1' ' A' ' 96' ' ' TYR . 1.0 OUTLIER -99.25 116.02 30.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 110.388 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.525 HG22 ' C ' ' A' ' 60' ' ' THR . 0.0 OUTLIER -158.3 175.62 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.536 HG23 ' HG3' ' A' ' 94' ' ' GLN . 1.1 m -71.94 -153.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.845 HD13 HD11 ' A' ' 85' ' ' ILE . 1.2 pp -100.64 -69.88 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.547 ' N ' HD12 ' A' ' 63' ' ' LEU . 2.8 t0 -59.96 -8.16 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.462 HG23 ' HB ' ' A' ' 62' ' ' THR . 1.2 p -72.79 -7.46 50.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.656 HD13 ' HB ' ' A' ' 23' ' ' ILE . 3.8 pp -170.87 -41.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.947 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -41.87 153.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.0 -23.59 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.947 ' H ' HG23 ' A' ' 67' ' ' THR . 56.2 tttt -49.78 -30.28 9.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -71.31 -55.47 7.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.63 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.84 -36.39 69.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.674 ' OE2' HG11 ' A' ' 84' ' ' VAL . 2.7 tt0 -72.93 -44.48 61.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.483 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -49.77 -35.48 22.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.69 28.5 4.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -147.72 -62.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 72' ' ' GLU . 38.0 mmt -90.61 178.45 6.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.432 ' O ' HD23 ' A' ' 81' ' ' LEU . 7.6 t -86.84 -174.59 5.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.432 ' N ' ' OG1' ' A' ' 77' ' ' THR . 1.5 mp -71.4 -38.43 71.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 m -56.36 -57.33 12.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.1 -42.64 69.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.483 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -56.44 -41.06 75.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -68.11 -33.8 75.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -63.51 -53.78 46.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.247 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.674 HG11 ' OE2' ' A' ' 72' ' ' GLU . 5.8 m -64.75 -41.49 92.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.845 HD11 HD13 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -60.14 -36.4 67.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.37 -24.67 50.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.62 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -82.51 -28.04 31.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.671 HG23 ' CD2' ' A' ' 89' ' ' TYR . 1.1 tt -85.53 -57.81 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.671 ' CD2' HG23 ' A' ' 88' ' ' ILE . 14.3 p90 166.5 139.09 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.2 Cg_endo -75.07 175.66 10.95 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.47 124.42 2.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.47 70.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.658 ' O ' ' CE2' ' A' ' 95' ' ' PHE . 13.7 p -131.43 152.84 50.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.39 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.536 ' HG3' HG23 ' A' ' 62' ' ' THR . 5.2 mt-30 -69.0 146.92 52.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.878 ' CE1' HG21 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -163.0 -177.93 5.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.545 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.4 OUTLIER -65.0 151.46 45.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 1.015 ' C ' HD13 ' A' ' 98' ' ' ILE . 65.7 t -138.14 127.05 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.015 HD13 ' C ' ' A' ' 97' ' ' VAL . 1.3 mm -116.68 125.57 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.753 ' CB ' HG23 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -96.47 136.7 36.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.966 ' HB2' HD11 ' A' ' 53' ' ' ILE . 33.2 p90 -129.9 152.08 49.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.471 ' HB2' ' CG ' ' A' ' 21' ' ' LYS . 1.3 pttp -157.08 154.27 29.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.363 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.8 t -90.89 125.52 35.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 108.304 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.75 -40.38 10.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.842 HD12 ' NH1' ' A' ' 26' ' ' ARG . 6.4 tt -164.05 149.68 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.618 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.1 p -114.56 161.1 18.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 7' ' ' THR . 1.9 m-85 -151.53 130.7 12.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.848 ' CZ ' ' CD2' ' A' ' 12' ' ' PHE . 3.6 p90 -50.47 178.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -64.45 -44.65 90.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.603 ' HD2' HG12 ' A' ' 84' ' ' VAL . 0.9 OUTLIER -50.87 -29.25 11.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.848 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -78.59 -35.29 45.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.731 ' HA ' HD23 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -71.19 -54.34 11.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -51.27 -52.05 48.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.6 mt -54.77 -45.19 73.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.0 -25.88 61.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.54 15.18 8.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 62.77 -126.1 36.42 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 44.09 94.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 0.728 . . . . 0.0 110.276 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -38.14 147.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.3 m -138.98 146.71 41.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.383 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.591 HG22 ' CG1' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -95.4 162.23 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.831 ' O ' HG13 ' A' ' 97' ' ' VAL . 67.0 p -145.14 171.08 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.738 HG13 HG22 ' A' ' 97' ' ' VAL . 4.1 mp -124.75 140.89 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.842 ' NH1' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -136.3 172.36 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 110.268 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -105.74 130.08 53.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.251 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -51.16 -39.43 56.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 p -64.72 -20.89 66.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 31' ' ' SER . 32.8 mt-10 -116.24 16.96 15.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.84 110.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.592 ' CE1' ' CD2' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -78.7 -136.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.619 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -70.94 -171.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.674 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -119.73 -171.37 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.4 m -75.28 147.61 40.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.5 -14.06 48.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -87.69 -170.08 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.5 HG13 HG22 ' A' ' 52' ' ' THR . 1.0 OUTLIER -108.03 147.45 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.592 ' CD2' ' CE1' ' A' ' 32' ' ' HIS . 24.5 mt -127.33 105.86 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.677 ' HG3' HG23 ' A' ' 52' ' ' THR . 0.1 OUTLIER -67.53 140.24 56.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -136.16 173.66 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -177.54 -114.75 0.41 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.272 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.677 HG23 ' HG3' ' A' ' 40' ' ' ARG . 11.2 m -131.24 154.25 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.662 HD11 ' CG ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -142.6 171.89 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -117.94 154.1 32.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.233 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.674 HG21 ' O ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -80.86 159.1 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.409 HG22 ' C ' ' A' ' 99' ' ' GLU . 14.7 t -133.22 -44.04 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.35 168.35 24.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.81 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.4 m -156.39 142.94 18.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.408 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.82 166.31 33.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.515 HG22 ' CD1' ' A' ' 96' ' ' TYR . 0.8 OUTLIER -104.13 111.39 23.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.367 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.512 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -157.14 171.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.468 ' C ' ' OG1' ' A' ' 65' ' ' THR . 1.4 m -69.58 -153.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.715 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -99.46 -72.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.236 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.455 ' HA ' HG22 ' A' ' 67' ' ' THR . 1.9 t0 -56.82 -9.59 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.468 ' OG1' ' C ' ' A' ' 62' ' ' THR . 1.3 p -72.13 -4.76 30.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.723 HD21 HG21 ' A' ' 97' ' ' VAL . 3.3 pp -173.94 -39.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.921 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -43.4 155.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -23.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.921 ' H ' HG23 ' A' ' 67' ' ' THR . 29.1 tttt -46.97 -31.33 3.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -75.4 -51.78 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.565 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.74 -53.27 58.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.658 ' HB3' HD21 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -63.46 -42.43 98.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.564 ' CA ' HD11 ' A' ' 81' ' ' LEU . 8.3 tt0 -47.97 -35.95 11.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.09 30.26 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 72' ' ' GLU . 17.0 t-20 -151.58 -62.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.549 ' N ' ' O ' ' A' ' 72' ' ' GLU . 39.0 mmt -89.71 -179.82 5.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 t -89.51 -178.63 5.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.437 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.25 -35.15 71.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.92 -52.68 64.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.82 -47.33 82.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.658 HD21 ' HB3' ' A' ' 72' ' ' GLU . 9.7 mt -60.17 -31.88 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -71.02 -33.66 70.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -53.29 39.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.603 HG12 ' HD2' ' A' ' 11' ' ' ARG . 4.4 m -62.84 -42.32 95.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.802 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.0 OUTLIER -60.82 -36.92 74.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.76 -21.65 51.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.44 -27.74 25.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.813 HD12 ' HE2' ' A' ' 9' ' ' PHE . 1.9 tt -84.55 -57.75 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.653 ' CD2' HG23 ' A' ' 88' ' ' ILE . 11.8 p90 168.42 141.3 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.5 Cg_endo -74.97 152.83 41.38 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.03 122.16 3.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.715 ' HA ' HD21 ' A' ' 63' ' ' LEU . 5.0 tm0? -111.73 98.33 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.461 ' CG2' ' C ' ' A' ' 92' ' ' GLN . 17.0 p -151.84 151.87 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.426 ' N ' HG23 ' A' ' 62' ' ' THR . 11.0 mt-30 -41.07 141.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.512 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -161.73 -178.52 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.515 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.1 OUTLIER -77.24 140.77 40.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 111.019 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.831 HG13 ' O ' ' A' ' 24' ' ' THR . 79.7 t -125.56 132.29 71.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.81 HG23 ' OG1' ' A' ' 58' ' ' THR . 4.3 mm -125.52 121.71 60.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.532 ' CB ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -97.65 145.84 25.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.337 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.662 ' CG ' HD11 ' A' ' 53' ' ' ILE . 2.0 p90 -148.47 165.23 31.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.61 ' HE3' HD23 ' A' ' 103' ' ' LEU . 2.2 pttt -135.81 155.88 49.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.8 t -91.24 124.41 35.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 108.253 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.61 HD23 ' HE3' ' A' ' 101' ' ' LYS . 2.3 pp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.462 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 1.3 m-20 -90.06 -45.53 9.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.75 HG21 ' HG ' ' A' ' 39' ' ' LEU . 2.8 tt -154.4 141.67 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.53 156.51 17.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 1.068 ' CE1' HG12 ' A' ' 41' ' ' VAL . 83.3 m-85 -144.27 113.85 7.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.606 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 8.1 t80 -39.28 160.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -49.33 -54.72 15.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.54 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 35.4 mtp85 -51.28 -41.53 60.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 68' ' ' GLU . 11.2 m-85 -71.73 -32.06 67.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -46.03 75.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.91 ' HA ' HD23 ' A' ' 17' ' ' LEU . 5.3 t0 -65.06 -50.99 64.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.14 -48.18 61.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' ' 12' ' ' PHE . 45.2 mt -62.12 -44.16 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.91 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.99 -28.62 66.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.77 11.9 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 80.63 -126.01 7.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER 42.77 93.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.471 ' CD ' ' OE2' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -43.0 158.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.5 m -152.01 152.58 32.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.927 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -102.11 148.07 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.909 ' O ' HG13 ' A' ' 97' ' ' VAL . 15.1 p -115.1 174.59 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.931 HG13 HG22 ' A' ' 97' ' ' VAL . 4.6 mp -135.93 122.79 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.792 HH21 ' H ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -122.36 171.87 8.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.577 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 10.7 t0 -98.04 128.52 44.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.41 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 8.4 tp10 -54.34 -41.93 69.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -63.04 -12.99 30.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' SER . 4.6 mm-40 -120.06 8.66 11.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.245 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -36.57 107.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.416 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -108.11 -132.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.568 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 5' ' ' ASP . 39.6 m-85 -41.54 164.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.539 ' O ' HG21 ' A' ' 55' ' ' VAL . 11.3 mttt -131.85 -167.83 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m -68.22 141.11 56.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.68 -13.81 66.5 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.635 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -88.4 -171.25 3.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 0.793 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.678 HG13 HG22 ' A' ' 52' ' ' THR . 1.0 OUTLIER -106.54 149.72 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.75 ' HG ' HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -123.38 103.68 8.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.429 ' HG3' HG23 ' A' ' 52' ' ' THR . 2.7 ttm180 -71.67 119.92 16.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 1.068 HG12 ' CE1' ' A' ' 8' ' ' PHE . 28.7 m -106.0 135.06 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.94 -131.9 3.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.3 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.678 HG22 HG13 ' A' ' 38' ' ' VAL . 1.7 m -121.33 143.8 48.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.648 ' CD1' ' CG ' ' A' ' 100' ' ' PHE . 4.8 pt -133.95 173.21 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -118.64 149.75 40.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -72.38 158.07 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.441 ' CB ' ' HG3' ' A' ' 101' ' ' LYS . 5.8 t -127.09 -42.47 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -156.12 169.82 23.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.755 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.9 m -147.42 150.89 35.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.61 169.97 23.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.509 HG22 ' CD1' ' A' ' 96' ' ' TYR . 0.4 OUTLIER -113.7 103.76 11.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.371 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 60' ' ' THR . 0.2 OUTLIER -156.25 172.5 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.75 HG23 ' N ' ' A' ' 94' ' ' GLN . 0.2 OUTLIER -71.58 -153.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.793 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.6 OUTLIER -101.14 -69.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.457 ' HA ' HG22 ' A' ' 67' ' ' THR . 5.4 t0 -57.53 -9.76 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.447 ' H ' ' C ' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -75.29 -1.38 23.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.446 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.722 HD21 HG21 ' A' ' 97' ' ' VAL . 2.0 pp -174.27 -41.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.915 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -42.71 153.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.436 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 3.4 mt-10 -48.66 -23.57 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.927 ' HD2' HD11 ' A' ' 85' ' ' ILE . 18.8 tttm -49.14 -29.97 6.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -70.23 -54.76 11.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.563 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.19 74.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.85 ' OE1' HG11 ' A' ' 84' ' ' VAL . 2.8 tt0 -71.11 -43.72 67.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.488 ' N ' HD11 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -50.66 -38.41 46.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -96.94 27.55 3.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -145.15 -62.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.514 ' N ' ' O ' ' A' ' 72' ' ' GLU . 14.4 mmt -91.0 177.07 6.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 1.5 t -86.36 176.81 7.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.1 OUTLIER -64.03 -38.93 92.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.39 -57.17 13.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.449 ' H ' HG23 ' A' ' 77' ' ' THR . 1.7 mt-10 -53.68 -44.8 70.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.34 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.488 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -55.51 -39.87 71.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -69.61 -32.14 70.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -53.05 46.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.85 HG11 ' OE1' ' A' ' 72' ' ' GLU . 4.5 m -66.3 -41.04 88.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.927 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.8 mm -60.82 -38.62 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.99 -23.95 52.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.606 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -82.88 -27.16 30.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.6 HG23 ' CD2' ' A' ' 89' ' ' TYR . 1.9 tt -88.18 -57.37 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.6 ' CD2' HG23 ' A' ' 88' ' ' ILE . 8.6 p90 168.62 146.57 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -169.7 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.25 112.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.793 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -115.38 81.69 1.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.468 ' CG2' ' C ' ' A' ' 92' ' ' GLN . 18.6 p -152.06 152.75 32.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.438 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.75 ' N ' HG23 ' A' ' 62' ' ' THR . 4.8 mt-30 -34.93 144.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.577 ' CD1' ' HA ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -161.5 -178.69 6.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.509 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -85.67 121.75 28.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.931 HG22 HG13 ' A' ' 25' ' ' ILE . 73.0 t -101.42 137.27 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.902 HD13 ' O ' ' A' ' 97' ' ' VAL . 4.5 mm -128.35 121.73 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.927 ' CG ' HG23 ' A' ' 23' ' ' ILE . 15.2 tt0 -95.47 154.82 17.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.648 ' CG ' ' CD1' ' A' ' 53' ' ' ILE . 4.8 p90 -145.85 160.87 41.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.441 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 20.0 mttt -129.11 147.59 50.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.6 t -92.15 124.44 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 108.295 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.295 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.456 ' HB3' HD23 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -73.77 -50.07 22.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.71 HD12 ' NE ' ' A' ' 26' ' ' ARG . 13.4 tt -164.03 143.4 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.613 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.7 p -112.36 169.77 8.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.385 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.726 ' CE1' HG12 ' A' ' 41' ' ' VAL . 5.3 m-85 -157.62 149.3 21.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.625 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 10.7 t80 -76.54 160.21 29.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.427 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.8 OUTLIER -48.41 -47.55 37.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.584 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 27.5 mtp85 -61.86 -45.44 93.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.449 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.9 OUTLIER -61.21 -36.22 79.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.401 ' CD ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.29 -46.77 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.11 -45.21 83.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 46.0 t0 -60.07 -43.66 95.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.449 HD11 ' CD1' ' A' ' 12' ' ' PHE . 58.4 mt -61.4 -42.97 95.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.766 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.42 -24.92 61.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -76.81 -1.21 27.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.92 69.81 1.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -137.3 94.84 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -37.45 102.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 m -110.36 155.48 22.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.617 HG22 ' CG1' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -95.51 162.62 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.941 ' O ' HG13 ' A' ' 97' ' ' VAL . 21.7 p -141.1 170.78 15.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.777 HG13 HG22 ' A' ' 97' ' ' VAL . 4.1 mp -128.24 136.87 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.71 ' NE ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -132.25 171.93 13.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 31' ' ' SER . 23.6 t0 -95.8 127.93 42.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -49.41 -39.84 34.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.5 p -61.5 -16.86 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ASP . 4.8 mt-10 -132.84 17.94 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -106.8 89.87 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -147.27 113.94 6.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.588 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.18 -158.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -145.54 157.58 43.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.6 m -76.8 160.61 29.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.01 -14.53 43.16 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 55' ' ' VAL . 3.2 m-20 -74.9 -173.64 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.61 HG13 ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -105.86 148.71 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.581 ' O ' HG13 ' A' ' 41' ' ' VAL . 13.5 mt -127.26 106.36 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.4 129.6 41.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.726 HG12 ' CE1' ' A' ' 8' ' ' PHE . 1.8 m -132.17 -178.14 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' ' CD ' ' A' ' 13' ' ' GLN . . . 169.26 -80.32 0.1 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 110.309 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.7 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.61 ' CG2' HG13 ' A' ' 38' ' ' VAL . 20.6 m -140.98 146.32 37.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.843 HD12 ' N ' ' A' ' 54' ' ' GLU . 0.7 OUTLIER -133.01 171.7 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.843 ' N ' HD12 ' A' ' 53' ' ' ILE . 3.6 mt-10 -119.74 139.12 52.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -69.53 163.39 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.493 ' CG2' ' OE1' ' A' ' 99' ' ' GLU . 6.6 t -139.23 -44.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.389 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.21 169.57 19.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.787 HG23 HD13 ' A' ' 98' ' ' ILE . 1.7 m -153.83 146.37 24.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.399 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.94 168.84 26.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.537 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -113.02 105.56 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.385 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.539 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -155.67 173.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.613 HG23 ' C ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -70.68 -157.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.659 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -99.77 -71.3 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -55.14 -8.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.511 ' H ' ' C ' ' A' ' 63' ' ' LEU . 4.1 p -79.81 -1.19 37.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.621 HD21 HG21 ' A' ' 97' ' ' VAL . 3.7 pp -177.17 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.885 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.1 t -41.4 152.04 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.416 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.85 -23.45 7.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.885 ' H ' HG23 ' A' ' 67' ' ' THR . 18.4 tttt -49.22 -36.84 21.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -66.44 -50.26 63.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.612 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.59 -45.86 73.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.701 ' HB3' HD21 ' A' ' 81' ' ' LEU . 0.8 OUTLIER -66.19 -43.3 87.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.597 ' CA ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -48.89 -36.54 17.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.639 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 6.9 tt0 -90.36 20.72 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' GLU . 17.1 t-20 -143.72 -61.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.56 ' N ' ' O ' ' A' ' 72' ' ' GLU . 35.6 mmt -89.86 178.28 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.497 HG23 ' H ' ' A' ' 80' ' ' GLU . 1.4 t -87.0 178.88 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.37 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.494 ' N ' ' OG1' ' A' ' 77' ' ' THR . 2.3 mp -69.08 -37.75 78.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.0 m -56.51 -57.37 12.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.497 ' H ' HG23 ' A' ' 77' ' ' THR . 0.7 OUTLIER -53.87 -44.99 70.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.711 HD22 ' CG ' ' A' ' 69' ' ' LYS . 7.8 mt -59.5 -32.84 70.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.12 -33.6 67.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -67.94 -52.76 32.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.515 HG12 ' HE2' ' A' ' 9' ' ' PHE . 4.5 m -64.53 -44.23 96.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.668 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.2 mm -57.1 -41.35 77.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.88 -26.67 62.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.625 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -79.91 -27.78 39.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.665 HG23 ' CG ' ' A' ' 89' ' ' TYR . 0.2 OUTLIER -87.63 -57.53 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.665 ' CG ' HG23 ' A' ' 88' ' ' ILE . 7.5 p90 163.97 144.9 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.2 Cg_endo -75.01 -162.88 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.99 112.13 0.22 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.614 ' HA ' HD21 ' A' ' 63' ' ' LEU . 8.0 tm0? -115.43 64.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.613 ' C ' HG23 ' A' ' 62' ' ' THR . 23.0 p -147.93 152.39 37.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.43 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.498 ' N ' HG23 ' A' ' 62' ' ' THR . 15.8 mt-30 -37.69 140.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.539 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.6 m-85 -160.69 -177.62 6.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.471 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -75.73 144.52 41.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.941 HG13 ' O ' ' A' ' 24' ' ' THR . 54.3 t -132.04 137.69 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.787 HD13 HG23 ' A' ' 58' ' ' THR . 5.4 mm -129.55 119.14 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.556 ' CB ' HG23 ' A' ' 23' ' ' ILE . 2.6 tm-20 -96.14 143.47 27.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.706 ' CD2' HD13 ' A' ' 53' ' ' ILE . 26.8 p90 -148.07 172.29 14.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 21' ' ' LYS . 11.1 pttt -145.47 152.95 40.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -91.65 -174.4 3.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.327 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.251 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 17.0 t-20 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 4' ' ' ASN . 2.4 m-20 -87.13 -41.5 13.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.93 HD12 ' NE ' ' A' ' 26' ' ' ARG . 5.8 tt -163.43 141.73 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.531 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 2.0 p -101.65 168.97 9.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.4 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.627 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 24.6 m-85 -158.6 131.99 7.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.092 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.83 ' CZ ' ' CD2' ' A' ' 12' ' ' PHE . 4.6 p90 -50.92 -175.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -69.94 -47.07 63.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.557 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 7.1 mtp180 -50.29 -24.99 3.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.83 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -80.22 -34.99 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -42.67 87.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.612 ' HA ' HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -71.74 -52.35 18.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.532 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -55.03 -47.71 74.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 12' ' ' PHE . 58.4 mt -57.55 -44.99 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.612 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.46 -24.67 60.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -77.38 -0.68 26.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 53.81 52.41 42.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' LYS . 93.0 mtt180 -115.0 99.16 7.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 0.76 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' ARG . 1.1 pttm -37.63 100.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ARG . 42.5 m -111.4 150.52 29.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.744 HD13 ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -94.96 161.64 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.92 ' O ' HG13 ' A' ' 97' ' ' VAL . 31.4 p -131.07 171.89 12.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.824 HG13 HG22 ' A' ' 97' ' ' VAL . 4.5 mp -130.45 130.99 65.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.93 ' NE ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -126.96 172.17 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -108.07 128.29 54.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -50.19 -43.4 52.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -14.15 41.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.5 mm-40 -119.28 13.18 12.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.422 ' O ' ' OG ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -38.43 98.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 0.0 110.009 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.487 ' CE1' ' HE ' ' A' ' 26' ' ' ARG . 0.6 OUTLIER -88.14 -134.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.425 ' N ' ' CG ' ' A' ' 32' ' ' HIS . 9.7 m-85 -51.52 -173.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.515 ' O ' HG21 ' A' ' 55' ' ' VAL . 3.8 mmtm -137.52 -170.76 2.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.1 m -72.35 162.35 29.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.28 18.03 64.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.55 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -123.79 -169.0 1.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.574 HG13 HG22 ' A' ' 52' ' ' THR . 1.2 t -106.39 147.86 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.582 HD12 HG22 ' A' ' 55' ' ' VAL . 26.0 mt -130.09 103.9 7.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.488 ' HG3' HG23 ' A' ' 52' ' ' THR . 0.0 OUTLIER -63.65 138.18 58.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.476 ' CG1' HG12 ' A' ' 53' ' ' ILE . 1.4 m -131.51 168.85 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.01 -105.39 0.19 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.574 HG22 HG13 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -125.74 143.42 51.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.779 HD12 ' HB2' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -129.3 171.78 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -125.17 142.56 51.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.604 ' CG1' HG22 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -75.18 159.81 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.7 t -132.74 -44.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.395 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.73 168.63 21.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.838 HG23 ' CD1' ' A' ' 98' ' ' ILE . 4.1 m -146.46 144.98 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.79 166.58 32.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.516 ' C ' HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -106.69 115.61 30.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.529 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -158.09 175.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.774 HG22 ' H ' ' A' ' 63' ' ' LEU . 7.7 m -79.27 -153.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.402 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.784 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.6 OUTLIER -98.99 -70.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.47 ' HA ' HG22 ' A' ' 67' ' ' THR . 9.5 t0 -57.19 -9.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.466 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.3 p -74.18 -2.87 26.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 110.393 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.744 ' HB2' HD13 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -173.35 -41.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.927 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -43.05 153.3 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.3 -23.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.966 ' HD2' HD11 ' A' ' 85' ' ' ILE . 19.4 tttm -49.14 -31.06 7.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -68.11 -54.64 16.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.589 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.42 -37.68 73.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.639 ' OE2' HG11 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -70.21 -44.76 67.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.507 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -51.09 -36.15 38.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.86 28.24 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -147.59 -61.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.515 ' N ' ' O ' ' A' ' 72' ' ' GLU . 12.7 mmt -90.28 177.64 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 7.8 t -89.86 -171.22 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' ' 77' ' ' THR . 2.6 mp -70.83 -37.83 73.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -56.3 -55.4 33.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.374 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.23 -44.53 92.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.514 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -56.52 -34.77 67.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -73.47 -37.62 65.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -54.58 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.639 HG11 ' OE2' ' A' ' 72' ' ' GLU . 27.4 m -57.31 -49.89 78.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.966 HD11 ' HD2' ' A' ' 69' ' ' LYS . 6.2 mm -49.85 -42.01 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.84 -24.16 62.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 84' ' ' VAL . 0.3 OUTLIER -81.07 -29.6 34.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.815 HG22 ' CE2' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -87.86 -62.76 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.815 ' CE2' HG22 ' A' ' 88' ' ' ILE . 3.1 p90 169.75 145.86 0.1 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.64 36.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.776 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.39 123.5 4.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 111.035 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.784 ' HA ' HD21 ' A' ' 63' ' ' LEU . 3.4 tt0 -115.69 54.16 0.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.8 p -122.62 151.69 41.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -45.24 149.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.6 m-85 -162.1 -177.6 5.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.05 140.16 39.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 111.044 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.92 HG13 ' O ' ' A' ' 24' ' ' THR . 71.4 t -126.47 132.59 70.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.899 HD13 ' O ' ' A' ' 97' ' ' VAL . 4.4 mm -124.4 127.33 73.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.661 ' CB ' HG23 ' A' ' 23' ' ' ILE . 7.9 tt0 -96.6 150.9 20.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.779 ' HB2' HD12 ' A' ' 53' ' ' ILE . 5.2 p90 -148.27 170.66 17.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -152.55 149.08 28.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.4 t -92.3 128.19 38.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 108.294 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.442 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 3.0 t30 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.442 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -93.72 -52.21 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.579 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 3.8 tt -164.38 144.45 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.6 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.4 p -108.38 170.73 7.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 7' ' ' THR . 44.3 m-85 -154.33 134.6 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.568 ' CD2' ' HG3' ' A' ' 11' ' ' ARG . 6.2 t80 -44.08 164.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -56.3 -44.32 79.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.568 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 34.3 mtp85 -49.37 -48.17 47.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.536 ' O ' HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -62.12 -31.76 72.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.537 ' HB3' HH21 ' A' ' 43' ' ' ARG . 0.0 OUTLIER -66.91 -45.87 76.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.132 . . . . 0.0 110.282 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.746 ' HA ' HD23 ' A' ' 17' ' ' LEU . 7.8 t70 -65.08 -57.54 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.94 -42.98 60.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.536 HD12 ' O ' ' A' ' 12' ' ' PHE . 46.0 mt -63.05 -47.0 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.746 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -59.08 -28.52 66.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.53 18.51 7.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 72.3 -116.08 5.68 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.489 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER 45.22 97.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 0.0 110.286 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.489 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -34.02 106.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.1 m -100.78 120.21 39.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.444 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.906 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -96.13 158.81 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.846 ' O ' HG13 ' A' ' 97' ' ' VAL . 68.5 p -138.86 166.92 23.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.816 HG13 HG22 ' A' ' 97' ' ' VAL . 4.1 mp -122.25 140.01 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.439 ' NE ' HG12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -138.99 163.74 31.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' SER . 13.8 t0 -91.42 130.63 37.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -50.12 -43.16 51.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -25.42 48.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -121.68 16.15 11.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.7 t -105.35 105.43 15.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.956 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -158.31 114.73 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.636 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -179.58 -154.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -147.8 157.7 43.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m -80.55 166.26 21.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.91 14.46 63.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.549 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -102.6 -172.75 2.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.636 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -102.85 141.52 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.509 ' O ' HG13 ' A' ' 41' ' ' VAL . 12.2 mt -122.92 109.37 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 134.0 56.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 39' ' ' LEU . 20.1 m -138.48 174.4 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.4 -107.17 0.2 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.537 HH21 ' HB3' ' A' ' 13' ' ' GLN . 7.6 ttm180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.755 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.636 HG22 HG13 ' A' ' 38' ' ' VAL . 4.6 m -126.87 147.24 50.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.731 HD13 ' CG ' ' A' ' 100' ' ' PHE . 1.0 OUTLIER -132.15 172.77 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -125.78 139.33 53.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -72.35 161.41 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.481 HG21 ' HE3' ' A' ' 101' ' ' LYS . 13.8 t -141.37 -45.38 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.441 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -144.63 169.73 17.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.965 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.3 m -160.07 140.59 11.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -157.14 168.09 28.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.958 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.58 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -103.39 110.79 22.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 60' ' ' THR . 0.2 OUTLIER -158.28 174.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.66 HG22 ' H ' ' A' ' 63' ' ' LEU . 3.9 m -72.98 -154.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.432 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.66 ' H ' HG22 ' A' ' 62' ' ' THR . 0.8 OUTLIER -99.78 -71.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.434 ' N ' HD12 ' A' ' 63' ' ' LEU . 5.4 t0 -54.73 -9.59 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.485 ' H ' ' C ' ' A' ' 63' ' ' LEU . 1.2 p -76.69 0.3 20.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.645 HD13 ' HB ' ' A' ' 23' ' ' ILE . 1.4 pp -178.93 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.942 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.1 t -41.47 153.16 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.531 ' HG3' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -52.5 -22.6 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.942 ' H ' HG23 ' A' ' 67' ' ' THR . 28.0 tttt -49.14 -35.13 15.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.464 ' CD2' ' C ' ' A' ' 70' ' ' HIS . 1.6 t60 -68.94 -54.98 12.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.59 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.46 -37.38 65.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 76' ' ' MET . 2.2 tt0 -72.66 -43.58 62.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.531 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -48.88 -36.32 16.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.44 26.91 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -145.49 -60.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.522 ' N ' ' O ' ' A' ' 72' ' ' GLU . 19.4 mmm -90.33 178.6 6.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.462 HG23 ' H ' ' A' ' 80' ' ' GLU . 9.4 t -88.29 -177.78 5.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.1 mp -71.26 -38.06 71.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 m -60.1 -45.95 91.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.347 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.482 ' O ' HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -68.03 -37.32 81.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.531 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -61.96 -37.34 84.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -73.13 -38.47 66.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -53.42 57.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 80' ' ' GLU . 14.3 m -63.09 -49.61 82.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.85 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.3 mm -52.56 -40.65 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.54 -22.57 58.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.452 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -83.98 -27.23 28.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.784 HG22 ' CE2' ' A' ' 89' ' ' TYR . 0.3 OUTLIER -95.24 -60.32 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.784 ' CE2' HG22 ' A' ' 88' ' ' ILE . 1.0 OUTLIER 171.93 162.33 0.25 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -41.54 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.25 109.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -86.87 -142.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.754 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.57 ' O ' ' C ' ' A' ' 94' ' ' GLN . 35.6 p -60.19 157.94 12.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.57 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.5 tt0 -23.17 136.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.494 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.3 m-85 -144.26 -177.76 5.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.02 143.78 52.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.846 HG13 ' O ' ' A' ' 24' ' ' THR . 53.1 t -133.85 133.77 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.965 HG23 ' OG1' ' A' ' 58' ' ' THR . 3.2 mm -123.41 118.96 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.906 ' CG ' HG23 ' A' ' 23' ' ' ILE . 16.6 tt0 -95.89 140.39 30.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.351 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.731 ' CG ' HD13 ' A' ' 53' ' ' ILE . 2.7 p90 -148.68 170.21 18.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.481 ' HE3' HG21 ' A' ' 56' ' ' THR . 58.3 mttt -126.02 163.73 22.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.434 ' HB2' HG23 ' A' ' 16' ' ' ILE . 21.6 t -91.94 104.94 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 108.307 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 102' ' ' CYS . 3.2 pp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 40' ' ' ARG . 18.0 t-20 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.427 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 4.9 m-20 -94.37 -47.19 6.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.898 HD11 ' NH1' ' A' ' 26' ' ' ARG . 0.4 OUTLIER -165.22 139.2 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.408 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -101.81 164.63 11.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.389 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.57 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 43.5 m-85 -148.67 136.13 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.603 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 4.5 t80 -39.72 154.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -49.77 -51.38 39.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.575 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 5.0 mtp85 -50.08 -47.58 53.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.512 ' CE1' HD12 ' A' ' 88' ' ' ILE . 10.9 m-85 -62.27 -35.5 79.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.424 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -63.45 -48.24 78.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.297 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.59 -46.69 88.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -34.91 71.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.468 HG12 ' CZ ' ' A' ' 100' ' ' PHE . 30.5 mt -66.88 -45.31 87.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.749 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.52 -25.4 62.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.352 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.88 -3.53 35.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 57.21 37.23 79.35 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 21' ' ' LYS . 14.1 mtt-85 -99.3 100.24 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.421 0.718 . . . . 0.0 110.323 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -37.69 105.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 m -119.8 148.88 42.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.811 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -98.56 154.13 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.866 ' O ' HG13 ' A' ' 97' ' ' VAL . 44.7 p -121.32 174.61 6.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.755 HG13 HG22 ' A' ' 97' ' ' VAL . 4.6 mp -134.44 127.58 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.898 ' NH1' HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -128.02 171.81 11.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.604 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 26.0 t0 -102.76 129.64 49.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -53.99 -39.87 66.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.332 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.3 t -62.04 -15.99 48.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.049 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' SER . 12.7 mm-40 -119.14 11.17 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.61 120.9 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.423 ' CD2' ' N ' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -113.15 -136.56 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.621 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 5' ' ' ASP . 37.2 m-85 -47.34 175.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -131.21 -169.82 2.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.8 m -69.9 148.65 48.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.83 -14.91 61.92 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.609 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -86.99 -170.89 3.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.1 t -107.86 148.08 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -126.2 101.8 6.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.426 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -78.09 126.42 30.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.553 HG12 ' CE1' ' A' ' 8' ' ' PHE . 18.1 m -108.78 162.54 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.92 -87.8 0.07 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.56 1.162 . . . . 0.0 110.987 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 110.28 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 11.0 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -136.07 147.25 47.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.692 HD12 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -144.51 172.65 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -124.6 152.55 43.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -74.98 140.5 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.409 HG22 ' C ' ' A' ' 99' ' ' GLU . 13.8 t -109.52 -46.1 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.415 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.13 168.93 24.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.83 HG23 ' CD1' ' A' ' 98' ' ' ILE . 3.7 m -144.65 147.83 33.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 110.441 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.62 170.06 23.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.496 HG22 ' CD1' ' A' ' 96' ' ' TYR . 0.7 OUTLIER -114.05 108.82 17.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.401 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -155.5 174.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.765 HG22 ' H ' ' A' ' 63' ' ' LEU . 8.8 m -75.72 -152.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.371 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.789 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -100.65 -73.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.432 ' HA ' HG22 ' A' ' 67' ' ' THR . 5.3 t0 -54.9 -11.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.513 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.1 p -70.54 -5.89 32.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.579 HD21 HG21 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -174.03 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.936 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -41.68 154.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.75 -23.62 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.936 ' H ' HG23 ' A' ' 67' ' ' THR . 56.7 tttt -49.34 -30.1 7.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -72.0 -55.22 7.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.572 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.74 -38.42 72.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.836 ' OE2' HG11 ' A' ' 84' ' ' VAL . 1.8 tt0 -72.15 -44.53 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.476 ' HG2' ' CD1' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -49.43 -36.13 21.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.17 27.63 4.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.405 ' CG ' ' SD ' ' A' ' 76' ' ' MET . 50.9 t-20 -146.99 -61.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.544 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.5 mpt? -90.65 -179.88 5.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 7.1 t -91.94 -172.03 3.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.442 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.5 OUTLIER -70.73 -37.78 73.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.3 m -56.79 -57.15 13.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -55.57 -44.21 76.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.489 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -57.12 -40.99 78.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.91 -29.42 67.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -53.39 24.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.836 HG11 ' OE2' ' A' ' 72' ' ' GLU . 5.0 m -65.02 -41.01 90.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.917 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.8 mm -60.1 -37.73 74.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.2 -24.17 51.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.603 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -82.37 -27.68 31.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.64 HG23 ' CD2' ' A' ' 89' ' ' TYR . 1.2 tt -86.47 -57.69 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.64 ' CD2' HG23 ' A' ' 88' ' ' ILE . 11.2 p90 168.12 141.64 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 157.68 42.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.95 122.22 4.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.44 1.088 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.789 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -115.73 83.46 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.438 ' CG2' ' C ' ' A' ' 92' ' ' GLN . 20.0 p -150.45 152.65 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 93' ' ' THR . 10.0 mt-30 -37.32 148.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.604 ' CD1' ' HA ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -162.12 -178.86 6.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.496 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -87.79 120.39 29.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.969 ' O ' HD13 ' A' ' 98' ' ' ILE . 81.5 t -100.5 133.06 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.969 HD13 ' O ' ' A' ' 97' ' ' VAL . 4.2 mm -125.92 124.66 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.236 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.811 ' CG ' HG23 ' A' ' 23' ' ' ILE . 10.9 tt0 -95.45 153.04 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.692 ' CD1' HD12 ' A' ' 53' ' ' ILE . 7.3 p90 -147.49 155.96 42.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -138.83 152.31 47.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.9 t -91.62 108.18 19.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.336 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.461 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 1.1 t30 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 2.1 m-20 -94.33 -55.24 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.828 HD12 ' NH1' ' A' ' 26' ' ' ARG . 18.7 tt -146.09 141.93 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.1 p -108.54 166.49 10.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.379 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.842 ' HD2' HG23 ' A' ' 41' ' ' VAL . 42.5 m-85 -157.37 124.09 5.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 11' ' ' ARG . 7.0 t80 -38.66 158.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.429 ' OE1' ' N ' ' A' ' 11' ' ' ARG . 1.4 pp0? -51.32 -52.44 45.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.574 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -55.32 -47.79 75.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.417 ' CE1' HG21 ' A' ' 22' ' ' THR . 0.5 OUTLIER -62.23 -36.02 80.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.501 ' OE1' HG22 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -63.84 -47.48 80.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.592 ' HA ' HD23 ' A' ' 17' ' ' LEU . 3.9 t70 -59.16 -46.54 88.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -56.58 -41.61 77.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.63 -43.7 96.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.28 -25.53 61.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -76.64 -1.02 25.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.71 66.67 2.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -130.49 96.11 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.278 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -36.02 104.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.417 HG21 ' CE1' ' A' ' 12' ' ' PHE . 85.8 m -116.26 153.66 31.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.422 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.968 HD13 ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -95.67 160.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.912 ' O ' HG13 ' A' ' 97' ' ' VAL . 29.7 p -142.9 173.98 11.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.987 HG13 HG22 ' A' ' 97' ' ' VAL . 4.5 mp -133.84 141.13 44.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.828 ' NH1' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -136.07 171.75 14.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -100.7 126.8 47.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -51.66 -43.28 62.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.98 -13.71 28.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' SER . 20.7 mt-10 -121.42 14.28 11.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.77 100.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.49 ' NE2' ' NH1' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -80.01 -136.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.608 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.456 ' N ' ' CG ' ' A' ' 32' ' ' HIS . 6.6 m-85 -52.91 -170.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.536 ' O ' HG21 ' A' ' 55' ' ' VAL . 27.3 mmtp -135.01 -170.35 2.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.4 m -73.68 164.55 26.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.52 14.79 43.92 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.631 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -117.84 -172.21 2.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 0.747 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.556 HG13 ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -104.22 150.03 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.578 HD12 HG22 ' A' ' 55' ' ' VAL . 17.6 mt -130.27 113.18 14.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -68.19 117.07 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.842 HG23 ' HD2' ' A' ' 8' ' ' PHE . 2.2 p -96.83 139.0 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.76 -173.35 21.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.325 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.556 ' CG2' HG13 ' A' ' 38' ' ' VAL . 23.3 m -125.2 150.85 46.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 110.421 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.901 HD12 ' N ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -138.15 171.4 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.901 ' N ' HD12 ' A' ' 53' ' ' ILE . 2.2 mt-10 -120.72 143.2 48.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -76.09 159.79 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.0 t -135.53 -45.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.12 168.43 19.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.89 HG23 HD13 ' A' ' 98' ' ' ILE . 1.9 m -165.18 131.64 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -158.05 169.72 23.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.482 ' C ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -89.44 113.59 24.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.748 ' HB ' HD21 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -156.43 167.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.764 HG23 ' CA ' ' A' ' 94' ' ' GLN . 0.2 OUTLIER -82.08 -161.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.4 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.4 OUTLIER -92.8 -74.43 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 70' ' ' HIS . 3.0 t0 -49.92 -13.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.516 HG23 ' HB ' ' A' ' 62' ' ' THR . 16.1 p -77.11 2.55 14.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.968 ' HB2' HD13 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -174.9 -46.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.872 HG22 ' H ' ' A' ' 69' ' ' LYS . 1.2 m -46.04 148.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.456 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -43.86 -22.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.872 ' H ' HG22 ' A' ' 67' ' ' THR . 2.9 tptm -46.04 -32.62 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 8.7 t60 -65.95 -54.8 21.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.589 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.58 81.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.568 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -60.22 -44.61 95.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.47 ' N ' HD11 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -51.14 -38.43 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -99.36 28.41 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -146.07 -61.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.568 ' N ' ' O ' ' A' ' 72' ' ' GLU . 14.6 mmt -90.42 177.49 6.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 0.9 OUTLIER -90.04 176.92 6.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.348 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.488 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.5 OUTLIER -61.82 -36.88 82.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -56.63 -50.8 70.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.425 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.5 -47.12 87.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.511 HD13 ' HD2' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -56.02 -37.08 68.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -69.32 -37.33 77.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -60.12 -53.08 62.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 81' ' ' LEU . 5.1 m -65.12 -39.03 84.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -60.7 -37.73 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.72 -26.34 54.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.554 ' OD1' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -79.38 -28.32 41.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.615 HG23 ' CG ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -86.94 -57.36 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.615 ' CG ' HG23 ' A' ' 88' ' ' ILE . 7.9 p90 164.85 147.97 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -177.1 3.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.24 120.82 0.72 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 92' ' ' GLN . 3.4 tm0? -102.96 69.25 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.3 p -144.03 148.44 35.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.764 ' CA ' HG23 ' A' ' 62' ' ' THR . 13.9 pt20 -65.86 160.4 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 110.287 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.61 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -164.96 -177.88 4.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.13 133.09 55.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.987 HG22 HG13 ' A' ' 25' ' ' ILE . 50.4 t -114.85 138.26 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.89 HD13 HG23 ' A' ' 58' ' ' THR . 6.9 mm -126.25 111.89 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.505 ' CB ' HG23 ' A' ' 23' ' ' ILE . 7.4 tt0 -96.08 141.7 29.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.782 ' HB2' HD13 ' A' ' 53' ' ' ILE . 1.5 p90 -146.75 173.22 12.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -146.27 155.38 42.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 10.5 t -91.79 125.07 36.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.343 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.99 -42.8 10.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.753 HD13 ' HE ' ' A' ' 26' ' ' ARG . 1.2 tp -164.02 142.64 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.454 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -111.33 165.59 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.422 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 41' ' ' VAL . 9.6 m-85 -155.7 130.9 9.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.609 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 6.3 t80 -37.26 157.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -49.86 -51.67 38.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.591 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 4.1 mtt-85 -49.39 -46.11 46.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -31.94 72.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -53.15 44.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.697 ' HA ' HD23 ' A' ' 17' ' ' LEU . 8.7 t70 -56.09 -45.5 79.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.5 -45.01 81.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.2 mt -61.77 -45.01 99.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.26 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.697 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.88 -25.65 63.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.82 11.75 14.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 67.54 -115.92 7.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 42.69 94.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 0.774 . . . . 0.0 110.301 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -38.95 134.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -139.18 148.06 42.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.874 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -98.31 152.32 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.931 ' O ' HG13 ' A' ' 97' ' ' VAL . 34.4 p -118.0 172.63 7.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.71 HG13 HG22 ' A' ' 97' ' ' VAL . 4.3 mp -130.71 128.39 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.753 ' HE ' HD13 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -125.24 171.82 10.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -109.8 129.69 55.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 31' ' ' SER . 14.9 tp10 -54.31 -35.09 62.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 t -62.88 -12.7 26.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 31' ' ' SER . 10.1 mm-40 -120.38 11.13 11.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.31 131.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.564 ' CE1' ' NH2' ' A' ' 26' ' ' ARG . 0.4 OUTLIER -148.39 -122.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.567 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.467 ' O ' ' O ' ' A' ' 32' ' ' HIS . 4.6 m-30 -44.3 175.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.88 -164.33 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.7 m -74.55 158.77 33.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.86 16.02 80.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.579 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -123.37 -171.55 2.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.559 HG13 HG22 ' A' ' 52' ' ' THR . 1.0 OUTLIER -106.81 147.91 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.42 HD12 HG22 ' A' ' 55' ' ' VAL . 27.0 mt -129.48 106.05 8.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -70.88 134.19 47.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.573 HG12 ' CE1' ' A' ' 8' ' ' PHE . 13.8 m -115.12 140.29 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.76 -141.33 4.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.504 0.767 . . . . 0.0 110.288 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.559 HG22 HG13 ' A' ' 38' ' ' VAL . 2.2 m -128.11 154.23 45.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.392 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.725 HD12 ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -141.13 172.56 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -121.89 145.25 48.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.706 ' CG1' HG22 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -75.38 151.67 6.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 100' ' ' PHE . 5.1 t -125.18 -45.99 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.16 170.2 18.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.806 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.4 m -148.38 149.0 30.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.16 169.05 25.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.514 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -110.81 105.85 14.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.356 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.526 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.97 173.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.735 HG22 ' H ' ' A' ' 63' ' ' LEU . 6.0 m -72.38 -152.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.41 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.735 ' H ' HG22 ' A' ' 62' ' ' THR . 0.6 OUTLIER -102.4 -66.92 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.94 -6.7 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.477 ' OG1' ' HB ' ' A' ' 62' ' ' THR . 1.0 OUTLIER -77.1 -2.45 34.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.034 HD12 ' N ' ' A' ' 67' ' ' THR . 3.4 pp -173.24 -43.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 1.034 ' N ' HD12 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -43.12 149.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.441 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.06 -22.91 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.244 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.908 ' H ' HG23 ' A' ' 67' ' ' THR . 0.4 OUTLIER -49.24 -30.37 7.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -63.95 -52.67 58.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.612 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.17 90.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 76' ' ' MET . 15.7 tt0 -64.0 -44.68 91.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.614 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -53.63 -38.35 63.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.628 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 5.5 tt0 -92.46 20.96 5.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -135.68 -59.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.511 ' HB2' ' CD2' ' A' ' 81' ' ' LEU . 25.9 mmt -91.14 177.23 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.476 ' O ' HD23 ' A' ' 81' ' ' LEU . 8.3 t -83.49 -179.15 7.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.35 -36.66 74.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.14 -53.95 52.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.404 ' H ' HG23 ' A' ' 77' ' ' THR . 1.4 mt-10 -58.63 -48.86 79.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.614 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.3 OUTLIER -51.28 -48.56 62.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -32.54 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -52.66 62.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.623 HG23 ' CE ' ' A' ' 69' ' ' LYS . 20.2 m -65.36 -38.45 82.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 81' ' ' LEU . 3.8 mt -56.94 -37.99 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.18 -34.86 63.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.609 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -71.97 -27.68 62.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.661 HG23 ' CG ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -91.95 -57.56 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.661 ' CG ' HG23 ' A' ' 88' ' ' ILE . 1.8 p90 161.45 162.47 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.488 ' O ' ' C ' ' A' ' 91' ' ' GLY . 18.3 Cg_endo -75.02 -92.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 90' ' ' PRO . . . 30.4 88.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.635 ' O ' ' CG ' ' A' ' 92' ' ' GLN . 4.5 tt0 -101.52 44.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.51 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 34.6 p -151.47 151.83 32.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.44 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 93' ' ' THR . 13.6 mt-30 -36.81 146.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.526 ' O ' ' O ' ' A' ' 61' ' ' VAL . 8.4 m-85 -158.94 -178.83 7.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.423 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -75.41 144.26 42.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 111.061 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.931 HG13 ' O ' ' A' ' 24' ' ' THR . 74.2 t -130.95 132.06 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.806 HG23 ' OG1' ' A' ' 58' ' ' THR . 4.0 mm -124.25 126.18 71.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.874 ' CG ' HG23 ' A' ' 23' ' ' ILE . 11.2 tt0 -95.48 157.07 16.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.725 ' CD1' HD12 ' A' ' 53' ' ' ILE . 9.7 p90 -146.83 167.48 23.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.41 139.11 40.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.9 t -92.68 123.99 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.325 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.448 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 1.9 t30 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.609 ' CG ' ' CE2' ' A' ' 33' ' ' PHE . 5.4 m-20 -90.84 -54.04 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.527 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 2.2 tt -160.54 143.52 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.404 ' C ' ' CG ' ' A' ' 8' ' ' PHE . 1.8 p -106.07 173.23 6.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.527 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 33.2 m-85 -154.78 131.86 10.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.606 ' CE1' ' OD1' ' A' ' 87' ' ' ASP . 4.5 t80 -40.11 162.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.32 -46.41 88.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.583 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 3.5 mtt-85 -57.07 -38.3 73.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.687 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 3.8 m-85 -63.55 -40.25 96.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -53.46 46.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.574 ' HA ' HD23 ' A' ' 17' ' ' LEU . 8.9 t70 -58.39 -44.29 88.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -45.68 74.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 20' ' ' ARG . 37.9 mt -58.86 -44.02 89.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.93 -33.65 70.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.67 17.37 22.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 20' ' ' ARG . . . -143.68 -78.92 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.533 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.9 tpm_? 86.71 26.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.47 100.26 0.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.622 ' O ' ' CE1' ' A' ' 100' ' ' PHE . 1.8 m -154.32 156.37 36.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.009 HD13 ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -103.24 158.53 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.875 ' O ' HG13 ' A' ' 97' ' ' VAL . 21.7 p -127.16 173.35 9.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.872 HG21 ' CE1' ' A' ' 95' ' ' PHE . 4.3 mp -130.64 142.27 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.533 ' NH2' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -139.59 171.83 13.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -99.87 128.93 45.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -55.83 -39.61 71.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.67 -13.73 25.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -120.06 9.15 11.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.17 111.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.48 ' NE2' ' NH2' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -110.78 -129.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.611 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.609 ' CE2' ' CG ' ' A' ' 5' ' ' ASP . 42.2 m-85 -43.13 168.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.489 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -128.0 -164.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.439 ' HA ' ' HB ' ' A' ' 55' ' ' VAL . 17.2 m -73.44 152.03 40.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 110.37 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.67 -14.34 42.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.451 1.094 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.701 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -87.08 -171.06 3.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 0.73 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.675 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -108.23 151.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.533 HD22 ' NH2' ' A' ' 26' ' ' ARG . 18.0 mt -128.49 112.54 14.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.39 109.05 5.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.4 t -82.67 140.01 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -156.29 147.18 15.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.437 0.728 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.675 HG22 HG13 ' A' ' 38' ' ' VAL . 3.0 m -125.91 142.44 51.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.851 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -134.52 171.92 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.745 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.6 mt-10 -116.23 143.44 45.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -72.06 145.81 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.453 ' CG2' ' HB3' ' A' ' 99' ' ' GLU . 9.9 t -114.14 -47.07 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.433 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.46 169.26 22.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.805 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.4 m -155.93 139.37 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.81 164.79 35.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.66 HG22 ' CD1' ' A' ' 96' ' ' TYR . 1.2 p -93.81 120.99 34.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.382 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.545 HG22 ' C ' ' A' ' 60' ' ' THR . 0.0 OUTLIER -159.67 174.22 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.505 HG22 ' H ' ' A' ' 63' ' ' LEU . 1.7 m -77.59 -155.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.438 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' A' ' 67' ' ' THR . 1.0 OUTLIER -98.5 -66.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.461 ' HA ' HG22 ' A' ' 67' ' ' THR . 4.1 t0 -61.01 -8.59 3.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.48 HG23 ' HB ' ' A' ' 62' ' ' THR . 1.4 p -74.48 -3.04 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.009 ' HB2' HD13 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -171.91 -42.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.938 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -42.87 154.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -48.91 -23.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.938 ' H ' HG23 ' A' ' 67' ' ' THR . 52.8 tttt -48.55 -29.91 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -70.68 -56.07 7.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.598 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.64 -50.35 74.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.648 ' OE1' HG11 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -61.57 -43.07 99.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.254 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.563 ' CA ' HD11 ' A' ' 81' ' ' LEU . 8.1 tt0 -50.56 -38.75 46.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -101.05 31.4 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -148.11 -59.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.545 ' N ' ' O ' ' A' ' 72' ' ' GLU . 12.8 mmt -90.49 178.01 6.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 6.0 t -84.66 -173.86 4.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.424 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.461 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.1 OUTLIER -70.81 -41.69 71.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.4 m -57.54 -46.68 83.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.523 ' O ' HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -59.57 -40.84 88.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.563 HD11 ' CA ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -61.71 -38.42 87.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -71.42 -29.58 65.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -53.33 16.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.648 HG11 ' OE1' ' A' ' 72' ' ' GLU . 4.6 m -64.75 -39.82 86.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.872 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.7 mm -62.52 -38.73 82.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.75 -20.91 52.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.606 ' OD1' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -85.87 -28.46 24.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.687 ' CD1' ' CZ ' ' A' ' 12' ' ' PHE . 2.3 tt -84.33 -58.07 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.652 ' CD2' HG23 ' A' ' 88' ' ' ILE . 16.3 p90 172.07 135.39 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.3 Cg_endo -75.01 161.01 39.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.553 1.818 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.82 122.77 5.03 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -107.79 80.94 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 0.794 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.662 ' O ' ' CE2' ' A' ' 95' ' ' PHE . 22.9 p -144.62 153.56 41.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -68.86 147.65 51.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.329 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.872 ' CE1' HG21 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -162.78 -178.65 6.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.66 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.8 OUTLIER -65.93 149.84 49.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.875 HG13 ' O ' ' A' ' 24' ' ' THR . 78.2 t -132.2 123.62 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.805 HG23 ' OG1' ' A' ' 58' ' ' THR . 2.8 mm -112.05 128.33 68.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.846 ' CB ' HG23 ' A' ' 23' ' ' ILE . 13.9 tt0 -98.04 152.54 19.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.709 ' HB2' HD13 ' A' ' 53' ' ' ILE . 20.3 p90 -138.29 152.21 48.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -155.27 145.94 22.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.466 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 6.5 t -92.72 128.39 38.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.322 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.41 ' ND2' ' HB3' ' A' ' 40' ' ' ARG . 2.4 t-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -107.23 -42.93 4.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.555 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -164.95 138.53 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.493 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 5.0 p -100.73 176.89 5.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.632 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 59.8 m-85 -159.33 128.56 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.789 ' CZ ' ' CD2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -36.64 154.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 110.984 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -49.59 -47.42 49.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -48.92 -32.77 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.789 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -75.42 -32.58 60.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -42.77 89.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.642 ' HA ' HD23 ' A' ' 17' ' ' LEU . 1.1 t70 -69.74 -52.48 25.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.587 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -55.22 -47.84 74.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.6 mt -55.92 -46.2 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.642 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -57.62 -24.55 57.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -75.97 -2.29 29.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 56.75 62.61 6.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 21' ' ' LYS . 15.3 mtt180 -127.34 97.21 4.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -36.15 106.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.455 HG21 ' CE1' ' A' ' 12' ' ' PHE . 24.5 m -118.19 151.74 37.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.45 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.904 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -95.95 158.1 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.742 ' O ' HG13 ' A' ' 97' ' ' VAL . 31.1 p -130.62 162.81 28.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.405 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.819 HG21 ' CE1' ' A' ' 95' ' ' PHE . 4.3 mp -121.74 141.42 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.531 ' NH1' ' CD1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -143.24 171.35 14.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 29' ' ' SER . 16.0 t0 -101.36 134.21 44.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 5.9 tp10 -48.55 -52.84 20.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.439 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 78.9 p -57.24 -17.53 12.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -129.73 32.91 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -54.41 -170.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.427 ' N ' ' OG ' ' A' ' 31' ' ' SER . 26.0 p-80 -113.61 -146.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.624 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -94.61 -67.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.033 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -177.61 -165.05 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.2 m -96.6 154.43 17.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.419 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.26 -14.39 45.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -79.46 -174.18 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.508 HG13 ' CG2' ' A' ' 52' ' ' THR . 1.1 t -105.52 141.53 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.814 HD12 HG22 ' A' ' 55' ' ' VAL . 14.8 mt -123.75 103.93 8.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.41 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -57.03 117.18 3.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.342 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.54 HG23 ' CD1' ' A' ' 8' ' ' PHE . 6.0 p -95.75 143.62 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.01 -131.89 2.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.473 ' C ' HG12 ' A' ' 41' ' ' VAL . 56.5 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.508 ' CG2' HG13 ' A' ' 38' ' ' VAL . 23.8 m -123.12 140.94 52.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.661 ' CD1' ' CG ' ' A' ' 100' ' ' PHE . 1.2 pt -126.6 171.99 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -127.27 136.34 51.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.814 HG22 HD12 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -68.97 164.58 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.3 t -138.62 -45.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.59 169.08 19.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 1.0 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.8 m -155.68 138.46 15.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -158.25 166.35 32.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.552 ' C ' HG22 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -99.71 119.23 37.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.552 HG22 ' C ' ' A' ' 60' ' ' THR . 0.0 OUTLIER -159.71 175.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.665 ' OG1' HG21 ' A' ' 65' ' ' THR . 0.2 OUTLIER -77.29 -154.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 67' ' ' THR . 1.0 OUTLIER -97.86 -66.58 0.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.415 ' H ' ' HG ' ' A' ' 63' ' ' LEU . 1.8 t0 -61.9 -7.02 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.248 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.665 HG21 ' OG1' ' A' ' 62' ' ' THR . 1.2 p -76.69 -2.64 33.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.572 HD21 HG21 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -172.82 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.953 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.1 t -41.92 153.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.389 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.56 -22.81 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.991 ' HD2' HD11 ' A' ' 85' ' ' ILE . 52.0 tttt -48.72 -31.99 7.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -69.17 -55.81 9.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.579 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.7 68.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -71.77 -44.91 63.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.475 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -50.59 -34.15 24.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.91 29.76 4.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -150.72 -60.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.557 ' N ' ' O ' ' A' ' 72' ' ' GLU . 18.1 mmt -90.21 177.97 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 8.6 t -90.2 -167.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.2 OUTLIER -72.11 -39.82 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -55.64 -55.44 32.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 76' ' ' MET . 1.3 mt-10 -56.03 -43.88 78.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.504 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -59.88 -34.83 73.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -30.59 64.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -53.15 30.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 81' ' ' LEU . 11.5 m -59.88 -41.55 86.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.991 HD11 ' HD2' ' A' ' 69' ' ' LYS . 6.7 mm -60.15 -40.37 83.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.64 -23.93 60.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.68 -28.99 27.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.648 ' O ' ' HB3' ' A' ' 89' ' ' TYR . 1.7 tt -83.69 -57.89 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.648 ' HB3' ' O ' ' A' ' 88' ' ' ILE . 10.4 p90 161.92 143.55 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.2 Cg_endo -75.07 148.23 34.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.7 125.15 5.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.29 71.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.636 ' O ' ' CZ ' ' A' ' 95' ' ' PHE . 17.8 p -127.51 152.09 48.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 10.6 tt0 -74.29 152.86 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.819 ' CE1' HG21 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -163.13 -178.09 5.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.14 151.16 46.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.848 ' C ' HD13 ' A' ' 98' ' ' ILE . 64.8 t -136.78 124.6 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.0 HG23 ' OG1' ' A' ' 58' ' ' THR . 1.8 mm -113.85 122.3 67.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.904 ' CG ' HG23 ' A' ' 23' ' ' ILE . 17.5 tt0 -96.36 146.06 25.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.661 ' CG ' ' CD1' ' A' ' 53' ' ' ILE . 3.8 p90 -147.45 165.65 29.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 111.001 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 21' ' ' LYS . 2.1 pttt -139.18 150.96 46.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 7.5 t -91.61 127.15 36.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 108.313 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.421 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 4.7 t30 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.602 ' CG ' ' CE2' ' A' ' 33' ' ' PHE . 16.1 m-20 -106.27 -45.65 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.578 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 11.2 tt -164.28 150.64 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.581 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.3 p -114.04 165.95 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.434 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.581 ' CD1' ' O ' ' A' ' 7' ' ' THR . 48.9 m-85 -156.13 125.34 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.616 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -45.68 172.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.11 -41.45 96.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.413 ' C ' ' OE1' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -49.22 -42.68 41.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.51 ' CD2' ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -65.09 -36.88 85.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 111.001 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.405 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -67.01 -46.32 74.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.436 ' HA ' HD23 ' A' ' 17' ' ' LEU . 13.4 t70 -59.2 -48.84 80.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -59.03 -39.03 80.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.483 ' CG2' ' HB2' ' A' ' 102' ' ' CYS . 30.6 mt -62.29 -45.33 99.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.96 -24.67 62.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.91 14.51 8.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 69.18 -124.63 16.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 43.03 93.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 110.26 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -37.49 103.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 m -81.11 139.34 35.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.926 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -103.32 148.66 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.713 ' O ' HG13 ' A' ' 97' ' ' VAL . 50.4 p -125.47 172.79 9.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.382 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.594 HG13 HG22 ' A' ' 97' ' ' VAL . 4.4 mp -122.72 140.83 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.612 ' NH2' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -139.65 171.42 14.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -102.32 132.52 48.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.04 -37.47 77.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -8.2 37.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 31' ' ' SER . 2.8 mt-10 -118.6 1.36 11.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -37.15 116.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.424 ' O ' ' O ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -118.73 -128.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.567 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.602 ' CE2' ' CG ' ' A' ' 5' ' ' ASP . 40.9 m-85 -42.89 168.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.436 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -124.14 -169.9 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.435 ' HA ' ' HB ' ' A' ' 55' ' ' VAL . 7.5 m -71.52 151.97 43.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.12 -13.55 49.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.575 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -89.06 -169.5 2.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 0.778 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.498 HG23 ' HG3' ' A' ' 54' ' ' GLU . 1.2 t -107.88 146.56 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.612 HD22 ' NH2' ' A' ' 26' ' ' ARG . 14.7 mt -122.9 113.34 18.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 134.54 53.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.51 HG12 ' N ' ' A' ' 42' ' ' GLY . 63.4 t -128.13 165.94 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.51 ' N ' HG12 ' A' ' 41' ' ' VAL . . . 176.15 93.84 0.09 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 110.324 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.4 m -151.22 144.55 24.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.958 HD12 ' N ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -144.07 170.27 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.958 ' N ' HD12 ' A' ' 53' ' ' ILE . 4.6 tt0 -125.7 132.65 52.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -60.51 161.97 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.412 ' CG2' ' N ' ' A' ' 57' ' ' ALA . 3.2 t -139.45 -46.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -148.26 169.39 20.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.915 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.3 m -152.18 145.04 24.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.68 168.53 27.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.534 ' C ' HG22 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -102.69 112.19 24.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.39 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.534 HG22 ' C ' ' A' ' 60' ' ' THR . 0.0 OUTLIER -158.74 175.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.759 HG22 ' H ' ' A' ' 63' ' ' LEU . 6.7 m -84.12 -154.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.866 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.6 OUTLIER -96.84 -71.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -56.23 -9.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.467 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 3.6 p -78.3 1.36 22.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.423 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.798 HD21 HG21 ' A' ' 97' ' ' VAL . 2.5 pp -177.56 -41.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.946 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.0 OUTLIER -42.97 152.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.413 ' OE1' ' C ' ' A' ' 11' ' ' ARG . 1.1 mt-10 -49.64 -23.48 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.946 ' H ' HG23 ' A' ' 67' ' ' THR . 22.0 tttt -48.88 -29.56 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -72.39 -54.59 8.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.591 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.84 -38.75 73.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 76' ' ' MET . 2.8 tt0 -72.03 -43.66 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.578 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -49.07 -36.5 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.9 25.63 4.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.1 t-20 -145.5 -63.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.53 ' N ' ' O ' ' A' ' 72' ' ' GLU . 17.2 mmt -90.61 178.1 6.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.582 HG23 ' HB ' ' A' ' 79' ' ' THR . 2.0 t -96.86 173.43 7.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.359 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.406 ' N ' ' OG1' ' A' ' 77' ' ' THR . 2.0 mp -55.02 -34.48 63.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.582 ' HB ' HG23 ' A' ' 77' ' ' THR . 1.2 m -56.46 -57.6 11.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -45.4 93.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.578 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -53.79 -41.26 67.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -34.52 72.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.79 -54.13 43.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.498 ' O ' ' CG1' ' A' ' 88' ' ' ILE . 13.9 m -63.94 -49.22 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.845 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.8 mm -52.19 -41.39 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.58 -23.62 59.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.616 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -80.98 -29.06 35.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.892 HG22 ' CE2' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -90.4 -63.18 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.892 ' CE2' HG22 ' A' ' 88' ' ' ILE . 6.7 p90 171.44 143.34 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.2 Cg_endo -75.02 -167.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.28 114.86 0.19 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.866 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.5 tm0? -115.4 68.64 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.44 ' C ' HG23 ' A' ' 62' ' ' THR . 21.1 p -143.36 151.88 40.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 110.368 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -41.92 142.94 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.524 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.7 m-85 -161.17 -177.36 6.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.65 133.01 37.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.938 ' O ' HD13 ' A' ' 98' ' ' ILE . 55.2 t -116.28 138.23 47.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.938 HD13 ' O ' ' A' ' 97' ' ' VAL . 4.4 mm -128.83 118.67 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.926 ' CG ' HG23 ' A' ' 23' ' ' ILE . 6.9 tt0 -95.12 140.97 29.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.6 ' HB2' HD13 ' A' ' 53' ' ' ILE . 4.9 p90 -148.91 169.27 20.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.425 ' HE2' ' N ' ' A' ' 21' ' ' LYS . 17.2 mttt -127.9 155.16 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.483 ' HB2' ' CG2' ' A' ' 16' ' ' ILE . 4.0 t -79.18 104.82 10.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 108.248 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -107.99 -41.03 5.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.547 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -164.41 140.13 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.431 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -102.13 160.51 14.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.723 ' CD1' HG23 ' A' ' 41' ' ' VAL . 18.6 m-85 -144.61 120.5 10.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.615 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 7.8 t80 -40.8 158.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.82 -54.45 19.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.586 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 11.6 mtp-105 -51.55 -48.98 62.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.683 ' CE1' ' CD1' ' A' ' 88' ' ' ILE . 7.4 m-85 -63.83 -33.7 76.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.049 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.421 ' HB3' HH21 ' A' ' 43' ' ' ARG . 0.0 OUTLIER -67.24 -46.9 72.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.76 ' HA ' HD23 ' A' ' 17' ' ' LEU . 3.4 t0 -58.6 -49.64 76.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.547 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -54.63 -49.09 71.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.0 mt -58.51 -42.1 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.76 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.3 -24.06 58.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -75.44 -2.11 27.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 56.61 38.56 82.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -102.9 101.13 11.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 110.331 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -36.61 104.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.428 HG21 ' OE1' ' A' ' 68' ' ' GLU . 72.3 m -124.41 155.51 38.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.88 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -99.86 154.7 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.779 ' O ' HG13 ' A' ' 97' ' ' VAL . 81.2 p -138.08 174.27 10.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.802 HG13 HG22 ' A' ' 97' ' ' VAL . 3.5 mp -124.47 141.16 45.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.531 ' CZ ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -135.49 171.46 14.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.574 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 19.1 t0 -100.03 131.25 46.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -53.99 -43.85 70.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -60.1 -18.65 48.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.999 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' SER . 19.3 mt-10 -120.43 16.72 12.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.51 155.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -93.92 -142.78 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.617 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.9 -66.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.12 -171.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.418 ' HA ' ' HB ' ' A' ' 55' ' ' VAL . 7.4 m -81.97 153.88 26.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.98 -14.28 44.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.643 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -85.89 -170.08 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.609 HG13 ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -107.44 153.0 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.861 HD12 HG22 ' A' ' 55' ' ' VAL . 11.6 mt -134.58 108.87 8.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.69 129.7 42.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.794 HG13 ' HB2' ' A' ' 51' ' ' CYS . 7.6 p -111.22 135.83 49.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 43' ' ' ARG . . . -118.46 -134.69 5.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.421 HH21 ' HB3' ' A' ' 13' ' ' GLN . 1.4 ttt180 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 110.267 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.794 ' HB2' HG13 ' A' ' 41' ' ' VAL . 81.1 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.609 ' CG2' HG13 ' A' ' 38' ' ' VAL . 63.8 m -150.93 155.68 39.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.91 HD12 ' N ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -141.17 168.07 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.91 ' N ' HD12 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -118.65 137.54 53.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.861 HG22 HD12 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -74.84 160.54 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 99' ' ' GLU . 9.7 t -136.96 -44.84 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -149.03 168.58 22.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.947 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.3 m -148.93 151.46 34.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.62 168.95 25.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.515 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -115.83 106.43 13.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.409 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.528 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.36 173.28 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.622 HG23 ' C ' ' A' ' 93' ' ' THR . 1.1 m -69.62 -154.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.919 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -100.7 -71.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.408 ' HA ' HG22 ' A' ' 67' ' ' THR . 4.0 t0 -56.41 -8.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.484 ' H ' ' C ' ' A' ' 63' ' ' LEU . 2.1 p -74.97 -3.72 33.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.871 HD12 ' N ' ' A' ' 67' ' ' THR . 3.9 pp -175.21 -39.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.892 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.1 t -41.71 151.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -51.94 -23.54 5.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.892 ' H ' HG23 ' A' ' 67' ' ' THR . 2.7 tttm -48.16 -39.62 21.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -52.69 59.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.59 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.11 -43.39 63.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.675 ' HB3' HD21 ' A' ' 81' ' ' LEU . 2.1 tt0 -67.36 -43.72 80.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.496 ' CA ' HD11 ' A' ' 81' ' ' LEU . 2.6 tt0 -49.62 -34.74 18.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.631 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 6.7 tt0 -92.42 20.37 6.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' GLU . 7.1 t-20 -142.56 -62.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.531 ' N ' ' O ' ' A' ' 72' ' ' GLU . 33.6 mmt -90.27 178.31 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.49 HG23 ' H ' ' A' ' 80' ' ' GLU . 1.4 t -87.38 178.82 6.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.488 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.9 OUTLIER -67.77 -38.3 83.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.1 m -56.55 -56.57 19.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.49 ' H ' HG23 ' A' ' 77' ' ' THR . 3.1 mt-10 -54.38 -45.53 72.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.704 HD22 ' CG ' ' A' ' 69' ' ' LYS . 6.6 mt -60.34 -31.15 70.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -35.66 70.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -53.6 31.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.569 HG12 ' HE2' ' A' ' 9' ' ' PHE . 5.1 m -62.88 -44.27 99.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.854 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.0 mm -56.05 -41.55 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.28 -26.96 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.615 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -79.54 -27.8 41.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.683 ' CD1' ' CE1' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -88.65 -57.27 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.727 ' OH ' HD13 ' A' ' 25' ' ' ILE . 7.2 p90 164.78 146.57 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.4 Cg_endo -74.99 -163.66 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.27 115.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.919 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -115.2 52.32 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 110.28 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.622 ' C ' HG23 ' A' ' 62' ' ' THR . 22.3 p -132.51 152.74 51.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.424 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.603 ' N ' HG23 ' A' ' 62' ' ' THR . 7.5 mt-30 -34.32 144.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -161.83 -178.12 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.547 ' O ' HG23 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -76.43 141.85 41.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.093 . . . . 0.0 111.008 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.858 ' O ' HD13 ' A' ' 98' ' ' ILE . 52.9 t -130.23 134.42 62.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.947 HG23 ' OG1' ' A' ' 58' ' ' THR . 3.9 mm -127.75 121.72 57.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.88 ' CG ' HG23 ' A' ' 23' ' ' ILE . 12.0 tt0 -95.27 133.82 38.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.606 ' CE2' HG21 ' A' ' 24' ' ' THR . 23.7 p90 -148.96 169.08 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.423 ' HE2' HD23 ' A' ' 103' ' ' LEU . 19.3 pttm -136.04 157.73 46.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -91.38 125.3 36.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.575 HD11 ' HB2' ' A' ' 54' ' ' GLU . 11.5 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 6' ' ' ILE . 10.2 t-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -115.88 -37.79 3.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.558 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 6.4 tt -154.83 135.71 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -102.94 161.67 13.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.619 ' CD1' HG23 ' A' ' 41' ' ' VAL . 53.0 m-85 -146.17 114.89 6.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.71 ' HE2' HG12 ' A' ' 84' ' ' VAL . 6.9 t80 -48.97 166.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.428 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.5 OUTLIER -53.82 -45.36 70.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.04 -47.74 83.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -39.62 93.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.728 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -64.89 -46.33 82.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 110.255 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -57.54 -46.58 83.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.57 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -55.96 -47.23 78.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' A' ' 13' ' ' GLN . 17.1 mt -56.08 -42.7 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.805 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.97 -24.46 62.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -75.31 -6.81 51.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . 84.01 -46.24 3.62 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 19' ' ' GLY . 4.3 mtt180 -38.2 100.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.35 156.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 m -152.89 151.13 30.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.406 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.916 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -97.01 154.12 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.887 ' O ' HG13 ' A' ' 97' ' ' VAL . 18.2 p -124.71 173.73 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.642 HG13 HG22 ' A' ' 97' ' ' VAL . 3.8 mp -132.72 135.04 57.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.551 ' NH1' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -136.45 171.0 15.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.253 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' SER . 16.6 t0 -97.89 130.42 44.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 28' ' ' GLU . 4.4 tp10 -47.16 -47.86 23.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.435 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 7.4 p -56.59 -21.12 24.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.4 mt-10 -129.48 27.45 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' ASP . 4.9 t -128.67 96.56 4.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.021 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -149.13 114.51 5.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.583 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -178.19 -156.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.84 165.21 28.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.6 m -85.55 167.27 15.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.02 13.73 60.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.629 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -100.61 -171.66 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.336 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.65 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -99.84 149.55 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.791 HD12 HG22 ' A' ' 55' ' ' VAL . 9.3 mt -135.15 112.47 10.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.08 130.82 48.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.812 HG13 ' HB2' ' A' ' 51' ' ' CYS . 3.0 p -115.15 134.57 57.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -152.98 134.43 4.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.812 ' HB2' HG13 ' A' ' 41' ' ' VAL . 97.7 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.65 HG22 HG13 ' A' ' 38' ' ' VAL . 8.1 m -151.31 151.33 31.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.84 HD13 ' CD2' ' A' ' 100' ' ' PHE . 1.1 pp -138.7 172.45 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.704 ' N ' HD12 ' A' ' 53' ' ' ILE . 3.1 mt-10 -121.19 137.53 54.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.791 HG22 HD12 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -71.09 156.26 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.404 HG22 ' C ' ' A' ' 99' ' ' GLU . 6.8 t -128.7 -43.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.071 . . . . 0.0 110.363 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -155.43 169.74 23.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.894 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.3 m -149.8 150.2 31.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.421 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.39 169.45 24.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.486 ' C ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -112.49 108.75 17.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.508 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -157.16 173.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 94' ' ' GLN . 1.1 m -70.78 -153.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.781 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.8 OUTLIER -101.54 -71.62 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.497 ' OD1' ' CE ' ' A' ' 69' ' ' LYS . 1.8 t0 -58.49 -8.76 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.364 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.467 HG23 ' HB ' ' A' ' 62' ' ' THR . 1.1 p -71.32 -8.3 52.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.572 HD13 ' HB ' ' A' ' 23' ' ' ILE . 2.0 pp -170.8 -40.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.922 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -42.05 154.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.4 -23.73 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.922 ' H ' HG23 ' A' ' 67' ' ' THR . 30.5 tttt -48.14 -30.29 4.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -75.86 -51.23 12.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.607 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.13 -52.6 62.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.651 ' HB3' HD21 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -64.17 -41.93 96.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.62 ' CA ' HD11 ' A' ' 81' ' ' LEU . 4.6 tt0 -48.43 -35.68 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.0 26.32 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.4 m-20 -147.5 -62.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.551 ' N ' ' O ' ' A' ' 72' ' ' GLU . 25.4 mmt -90.48 178.19 6.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.468 HG23 ' H ' ' A' ' 80' ' ' GLU . 8.0 t -85.71 -179.94 6.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.58 -38.19 70.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -55.36 34.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.468 ' H ' HG23 ' A' ' 77' ' ' THR . 1.5 mt-10 -54.15 -47.09 72.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.651 HD21 ' HB3' ' A' ' 72' ' ' GLU . 9.8 mt -58.33 -32.9 68.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.03 -35.08 71.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -54.06 32.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.71 HG12 ' HE2' ' A' ' 9' ' ' PHE . 4.7 m -62.72 -46.5 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.645 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.9 mm -55.3 -40.29 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.88 -26.18 62.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.618 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -81.16 -28.11 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.697 HG23 ' CG ' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -85.83 -57.54 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.697 ' CG ' HG23 ' A' ' 88' ' ' ILE . 2.9 p90 162.89 153.42 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.24 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.442 1.759 . . . . 0.0 111.039 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.501 ' O ' ' CD2' ' A' ' 63' ' ' LEU . . . 84.93 111.92 0.68 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.552 1.158 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.781 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -116.12 40.08 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.537 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 23.6 p -135.98 152.4 50.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.524 ' N ' HG23 ' A' ' 62' ' ' THR . 5.3 mt-30 -33.75 145.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' A' ' 93' ' ' THR . 8.4 m-85 -161.5 -178.14 6.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.61 134.08 36.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.887 HG13 ' O ' ' A' ' 24' ' ' THR . 74.7 t -119.14 130.3 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.894 HG23 ' OG1' ' A' ' 58' ' ' THR . 3.8 mm -120.4 123.43 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.916 ' CG ' HG23 ' A' ' 23' ' ' ILE . 11.3 tt0 -97.13 144.34 27.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.84 ' CD2' HD13 ' A' ' 53' ' ' ILE . 9.0 p90 -148.77 172.08 15.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.426 ' HE2' HD23 ' A' ' 103' ' ' LEU . 10.3 pttm -147.2 150.25 34.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.2 t -92.85 126.15 37.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.426 HD23 ' HE2' ' A' ' 101' ' ' LYS . 7.2 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.3 mtt . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.541 0.21 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -149.35 144.5 17.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.93 17.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.452 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 1.7 t30 -88.0 159.51 18.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.508 ' OD2' ' CE2' ' A' ' 33' ' ' PHE . 5.4 m-20 -94.42 -53.63 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 1.046 HD12 ' NE ' ' A' ' 26' ' ' ARG . 10.1 tt -150.61 142.76 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.577 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 2.3 p -104.94 176.34 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.425 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.843 ' CD1' HG23 ' A' ' 41' ' ' VAL . 45.8 m-85 -162.19 117.46 1.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.606 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 6.8 t80 -37.41 155.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.411 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -49.37 -47.55 47.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.254 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.581 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 4.2 mtt180 -59.33 -47.97 83.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -65.01 -38.08 89.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -46.39 84.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -59.12 -48.58 81.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -36.49 74.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.3 mt -64.07 -45.27 97.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.487 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.16 -24.64 59.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.84 7.93 19.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 76.21 -120.27 5.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER 43.01 94.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 110.227 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.92 148.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.9 m -150.51 155.66 39.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.574 HG23 ' CB ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -96.46 155.93 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.915 ' O ' HG13 ' A' ' 97' ' ' VAL . 21.6 p -123.12 173.68 7.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.874 HG13 HG22 ' A' ' 97' ' ' VAL . 3.2 mp -136.53 129.38 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 1.046 ' NE ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -131.08 172.0 12.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.436 ' OD2' ' N ' ' A' ' 28' ' ' GLU . 16.6 t0 -108.65 129.72 55.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.436 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 2.3 tp10 -49.54 -44.49 46.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 t -60.89 -14.84 24.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' SER . 1.8 mt-10 -122.94 17.42 10.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.04 104.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.996 ' CD2' HH21 ' A' ' 26' ' ' ARG . 0.0 OUTLIER -85.29 -138.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.508 ' CE2' ' OD2' ' A' ' 5' ' ' ASP . 1.5 m-85 -54.54 -167.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.052 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.656 ' O ' HG21 ' A' ' 55' ' ' VAL . 12.6 mttt -138.55 -172.6 3.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.4 m -72.09 162.79 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.04 14.04 37.08 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.555 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -115.59 -170.12 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.661 HG13 HG22 ' A' ' 52' ' ' THR . 1.0 OUTLIER -105.27 143.55 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.504 HD12 HG22 ' A' ' 55' ' ' VAL . 17.3 mt -124.43 104.6 8.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.35 119.97 10.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.843 HG23 ' CD1' ' A' ' 8' ' ' PHE . 9.8 p -100.12 147.39 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.424 ' HA3' ' N ' ' A' ' 49' ' ' TYR . . . -172.8 147.37 9.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.407 ' CG ' ' HA ' ' A' ' 10' ' ' GLN . 2.4 ttm180 -77.17 135.0 38.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -71.33 -29.53 65.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -48.45 -48.49 37.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 164.93 43.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.05 15.32 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -38.99 156.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.54 ' O ' ' CG ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER 37.93 65.69 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 110.964 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.92 -43.48 7.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.6 m -138.14 174.82 10.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 108.307 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.661 HG22 HG13 ' A' ' 38' ' ' VAL . 1.3 m -120.43 142.46 49.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.717 HD13 ' CD1' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -130.57 172.66 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -124.72 142.8 51.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.656 HG21 ' O ' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -74.28 160.68 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.5 t -131.35 -41.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -154.13 169.29 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.984 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.9 m -146.15 151.3 37.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.376 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.2 169.37 24.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.952 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.478 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -115.75 108.45 16.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.37 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.496 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -156.24 172.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.481 ' HB ' HG23 ' A' ' 65' ' ' THR . 1.3 m -70.04 -153.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.9 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -100.54 -72.81 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.505 ' HA ' HG22 ' A' ' 67' ' ' THR . 2.5 t0 -56.33 -11.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.481 HG23 ' HB ' ' A' ' 62' ' ' THR . 1.2 p -68.17 -8.49 39.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.368 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.692 HD21 HG21 ' A' ' 97' ' ' VAL . 1.6 pp -170.51 -39.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.919 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.3 t -42.0 153.6 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.72 -23.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.966 ' HD2' HD11 ' A' ' 85' ' ' ILE . 63.5 tttt -49.03 -30.76 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -54.69 11.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.579 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.63 -36.1 69.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -72.37 -45.02 61.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.5 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -50.33 -36.57 32.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.14 27.94 4.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.34 -61.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.558 ' N ' ' O ' ' A' ' 72' ' ' GLU . 13.2 mmt -90.45 177.37 6.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 7.0 t -89.72 -175.37 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.437 ' N ' ' OG1' ' A' ' 77' ' ' THR . 4.9 mp -66.72 -38.86 87.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 49.7 m -56.07 -53.18 60.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.424 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.26 -43.83 92.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.504 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -58.9 -38.36 78.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -72.52 -29.22 63.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.338 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -52.96 28.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 81' ' ' LEU . 6.1 m -63.43 -44.04 98.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.966 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.8 mm -57.35 -40.34 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.27 -25.92 60.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.606 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -80.51 -28.13 37.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.635 ' O ' ' HB3' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -87.95 -57.54 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.635 ' HB3' ' O ' ' A' ' 88' ' ' ILE . 5.9 p90 162.33 150.83 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.92 17.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.8 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.15 119.8 1.78 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.9 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -116.05 53.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 110.27 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' GLN . 42.9 p -122.21 152.67 39.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.153 . . . . 0.0 110.436 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.435 ' N ' HG23 ' A' ' 62' ' ' THR . 9.9 mt-30 -37.68 150.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.496 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -161.43 -178.25 6.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -85.55 132.49 34.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.915 HG13 ' O ' ' A' ' 24' ' ' THR . 74.2 t -117.35 133.29 64.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.984 HG23 ' OG1' ' A' ' 58' ' ' THR . 2.6 mm -125.03 126.01 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.574 ' CB ' HG23 ' A' ' 23' ' ' ILE . 7.7 tt0 -96.0 146.95 24.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.377 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.717 ' CD1' HD13 ' A' ' 53' ' ' ILE . 5.2 p90 -147.98 166.33 28.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.84 152.1 46.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.3 t -91.47 108.66 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 108.294 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mmt . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.481 0.181 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -62.64 124.55 83.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.92 13.68 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.768 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 6' ' ' ILE . 18.3 t-20 -47.7 170.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.487 ' CG ' ' CE2' ' A' ' 33' ' ' PHE . 1.7 m-20 -94.18 -45.94 7.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.659 HD13 ' NH1' ' A' ' 26' ' ' ARG . 1.3 tt -163.41 139.29 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 2.6 p -101.49 174.85 5.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.397 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.544 ' CE1' HG12 ' A' ' 41' ' ' VAL . 55.7 m-85 -155.78 130.4 9.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.613 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 7.4 t80 -42.44 162.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.51 -53.18 49.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.577 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 7.4 mtp180 -50.05 -49.09 52.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 68' ' ' GLU . 4.2 m-85 -64.07 -40.11 95.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -49.63 75.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.628 ' HA ' HD23 ' A' ' 17' ' ' LEU . 2.9 t70 -59.38 -45.57 91.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.66 -39.1 64.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.505 HG12 ' CZ ' ' A' ' 100' ' ' PHE . 5.3 mt -67.73 -46.35 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.628 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.85 -25.02 62.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.87 -1.85 27.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.86 60.61 8.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.448 1.093 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -124.25 96.43 4.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 110.294 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -38.63 101.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.33 158.71 27.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.839 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -99.69 152.96 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.908 ' O ' HG13 ' A' ' 97' ' ' VAL . 64.1 p -118.72 175.1 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.595 HD11 ' CB ' ' A' ' 67' ' ' THR . 4.0 mp -127.32 140.36 49.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.659 ' NH1' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -141.39 171.75 13.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -107.98 134.21 51.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -55.77 -40.98 73.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.6 p -61.53 -14.77 32.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -119.06 9.29 11.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.26 114.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.412 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -108.86 -135.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.589 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.487 ' CE2' ' CG ' ' A' ' 5' ' ' ASP . 40.6 m-85 -47.88 177.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.571 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -132.44 -164.64 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.3 m -71.23 149.06 46.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.09 -15.39 44.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.638 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -86.26 -169.4 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.712 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -108.83 147.38 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.7 mt -127.8 109.13 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.532 ' HG3' HG23 ' A' ' 52' ' ' THR . 6.6 ttt85 -75.75 122.16 23.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.544 HG12 ' CE1' ' A' ' 8' ' ' PHE . 7.0 m -95.05 124.07 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 7' ' ' THR . . . -135.55 121.79 2.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.429 ' HB3' ' N ' ' A' ' 48' ' ' GLY . 10.4 ttp180 -62.76 157.55 20.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 110.254 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.409 ' C ' ' N ' ' A' ' 46' ' ' ASP . 3.1 t80 -80.37 -47.22 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -39.11 -31.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.314 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 2.3 p-10 177.23 -35.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER 164.75 -21.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.429 ' N ' ' HB3' ' A' ' 43' ' ' ARG . . . 42.15 -134.38 3.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.543 ' O ' ' CG ' ' A' ' 49' ' ' TYR . 56.5 t80 -70.26 57.52 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 0.775 . . . . 0.0 110.984 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 39.6 p90 -54.0 111.09 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.04 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 35.9 m -150.64 -174.15 4.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 108.323 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.712 HG22 HG13 ' A' ' 38' ' ' VAL . 1.5 m -124.4 151.75 44.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.609 HD11 ' CG ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -143.99 172.05 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -114.14 150.86 33.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.3 OUTLIER -76.24 154.04 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.352 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.425 HG22 ' N ' ' A' ' 100' ' ' PHE . 4.5 t -123.36 -41.09 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.381 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.64 169.71 23.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.951 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.2 m -148.4 149.46 31.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.58 167.84 29.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.051 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.533 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -112.0 110.72 21.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 60' ' ' THR . 0.2 OUTLIER -157.11 171.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.556 HG23 ' N ' ' A' ' 94' ' ' GLN . 1.4 m -68.18 -153.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.392 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.707 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -100.47 -71.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.433 ' HA ' HG22 ' A' ' 67' ' ' THR . 5.5 t0 -57.25 -9.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.453 ' OG1' ' C ' ' A' ' 62' ' ' THR . 1.2 p -71.66 -5.45 33.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.961 HD12 ' N ' ' A' ' 67' ' ' THR . 3.6 pp -172.54 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.961 ' N ' HD12 ' A' ' 66' ' ' LEU . 1.2 t -42.83 153.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -49.13 -23.6 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.423 1.077 . . . . 0.0 110.264 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.943 ' H ' HG23 ' A' ' 67' ' ' THR . 37.7 tttt -48.2 -32.41 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -67.63 -54.79 16.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.638 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.51 -38.32 71.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -69.61 -44.83 69.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.537 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -51.02 -35.03 32.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.63 28.75 4.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.403 ' HB3' ' HE3' ' A' ' 76' ' ' MET . 3.6 t-20 -148.11 -59.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.513 ' N ' ' O ' ' A' ' 72' ' ' GLU . 27.8 mmt -90.53 177.59 6.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.518 ' O ' HD23 ' A' ' 81' ' ' LEU . 8.1 t -92.89 171.67 8.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -38.05 66.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.489 ' HB ' HG23 ' A' ' 77' ' ' THR . 0.9 OUTLIER -56.25 -57.76 10.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.411 ' OE1' ' SD ' ' A' ' 76' ' ' MET . 3.2 mt-10 -56.38 -46.26 80.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.537 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -54.45 -37.91 65.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -31.35 65.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -53.37 37.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.481 HG12 ' HE2' ' A' ' 9' ' ' PHE . 5.3 m -62.9 -43.92 99.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.942 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.5 mm -57.05 -39.19 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.19 -26.61 60.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.613 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -80.08 -27.61 39.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.632 HG23 ' CG ' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -88.36 -57.64 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.632 ' CG ' HG23 ' A' ' 88' ' ' ILE . 7.7 p90 165.11 148.02 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.3 Cg_endo -75.01 -179.26 4.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.81 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.62 113.95 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.707 ' HA ' HD21 ' A' ' 63' ' ' LEU . 2.9 tm0? -110.2 88.68 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.49 ' C ' HG23 ' A' ' 62' ' ' THR . 15.1 p -149.48 152.6 35.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.556 ' N ' HG23 ' A' ' 62' ' ' THR . 4.7 mt-30 -34.71 144.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.516 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -161.9 -178.75 6.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 111.006 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.468 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.1 OUTLIER -79.29 141.88 36.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.908 HG13 ' O ' ' A' ' 24' ' ' THR . 61.2 t -128.98 134.93 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.951 HG23 ' OG1' ' A' ' 58' ' ' THR . 4.9 mm -127.56 128.67 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.839 ' CG ' HG23 ' A' ' 23' ' ' ILE . 14.0 tt0 -96.17 153.74 17.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.586 1.179 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.609 ' CG ' HD11 ' A' ' 53' ' ' ILE . 6.7 p90 -143.18 174.16 10.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -152.51 148.51 27.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.5 t -92.68 130.62 38.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 108.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.0 mtt . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.49 0.186 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 179.78 81.33 0.19 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 170.9 19.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.435 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 2.8 t30 -109.66 159.26 17.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.435 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 3.1 m-20 -93.43 -53.08 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.518 HG21 ' NH2' ' A' ' 26' ' ' ARG . 14.6 tt -164.04 164.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.586 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -138.9 167.85 21.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.634 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -154.18 162.2 41.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.638 ' CD2' HD12 ' A' ' 88' ' ' ILE . 7.7 p90 -40.23 163.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -37.06 84.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 7.5 mtp-105 -52.65 -19.82 2.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.624 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -79.6 -42.04 25.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -42.14 94.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -69.4 -47.66 63.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -62.73 -31.77 72.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.4 mt -66.89 -47.0 83.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.469 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -57.73 -24.68 58.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.33 1.28 25.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 75.46 -130.98 11.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER 42.96 94.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -37.94 152.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -144.22 145.74 32.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.82 HG23 ' CB ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -95.39 159.2 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.902 ' O ' HG13 ' A' ' 97' ' ' VAL . 73.1 p -128.43 171.87 11.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.901 HG13 HG22 ' A' ' 97' ' ' VAL . 5.2 mp -127.78 129.46 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.518 ' NH2' HG21 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -125.14 171.78 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' SER . 6.2 t0 -96.09 129.67 43.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.403 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 6.7 tp10 -47.41 -47.53 26.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -60.74 -23.17 64.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.955 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 27' ' ' ASP . 9.5 mm-40 -121.56 28.29 7.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.506 ' OG ' ' CD2' ' A' ' 96' ' ' TYR . 0.1 OUTLIER -114.73 93.7 4.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -149.66 114.99 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.532 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -176.41 -147.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.07 149.34 15.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.7 m -71.3 158.96 35.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.2 -14.67 48.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.556 ' O ' HG23 ' A' ' 55' ' ' VAL . 4.3 m-20 -73.95 -175.81 2.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.767 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -105.21 137.25 35.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' ILE . 12.5 mt -117.22 103.98 10.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 128.61 36.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.567 HG23 ' CD1' ' A' ' 8' ' ' PHE . 7.4 p -118.45 160.57 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.97 -122.18 0.59 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.84 127.36 20.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 87' ' ' ASP . 2.7 t80 -74.46 -25.21 59.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -49.03 -48.06 44.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER 169.66 -34.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -39.89 -57.57 1.57 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 49' ' ' TYR . . . 86.27 -158.39 31.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.546 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -32.27 140.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 111.014 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -154.83 -44.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 35.2 m -137.41 -177.74 4.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 108.29 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 m -133.79 153.87 51.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.692 HD12 ' CE1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -142.77 173.02 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 100' ' ' PHE . 4.0 tt0 -124.98 144.43 50.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 0.0 110.27 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -74.25 150.92 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.419 HG22 ' C ' ' A' ' 99' ' ' GLU . 4.9 t -127.42 -44.19 1.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.85 169.26 23.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.829 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.8 m -144.55 150.54 37.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.46 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.28 168.25 27.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.495 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -115.78 110.57 19.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.509 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.28 173.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.465 ' HB ' HG23 ' A' ' 65' ' ' THR . 1.3 m -67.83 -153.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.457 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -100.26 -71.52 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.446 ' HA ' HG22 ' A' ' 67' ' ' THR . 5.5 t0 -57.9 -9.52 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.465 HG23 ' HB ' ' A' ' 62' ' ' THR . 1.2 p -70.74 -6.6 38.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.366 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.708 HD21 HG21 ' A' ' 97' ' ' VAL . 2.4 pp -171.69 -40.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.93 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -42.6 153.78 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.369 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -47.68 -23.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.93 ' H ' HG23 ' A' ' 67' ' ' THR . 28.7 tttt -49.38 -29.63 6.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -72.26 -54.48 9.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.82 76.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.504 ' HB3' HD21 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -65.07 -43.36 92.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.622 ' N ' HD11 ' A' ' 81' ' ' LEU . 6.9 tt0 -49.8 -36.66 27.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.1 30.07 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -148.5 -59.45 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 72' ' ' GLU . 22.7 mmt -90.55 177.99 6.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.482 HG23 ' H ' ' A' ' 80' ' ' GLU . 1.3 t -86.13 176.05 8.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.433 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.464 ' N ' ' OG1' ' A' ' 77' ' ' THR . 8.0 mp -66.12 -37.52 85.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -56.77 -51.93 67.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.482 ' H ' HG23 ' A' ' 77' ' ' THR . 2.3 mt-10 -58.78 -47.78 83.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.622 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -56.77 -38.54 72.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -28.91 64.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -52.65 33.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 81' ' ' LEU . 4.6 m -65.21 -44.35 95.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.928 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.6 mm -56.31 -41.25 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.73 -29.75 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.606 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -76.13 -26.51 56.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.64 HG23 ' CG ' ' A' ' 89' ' ' TYR . 0.8 OUTLIER -92.75 -57.74 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.64 ' CG ' HG23 ' A' ' 88' ' ' ILE . 1.9 p90 160.26 162.18 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 91' ' ' GLY . 18.1 Cg_endo -75.05 -90.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.811 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 90' ' ' PRO . . . 32.88 91.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.43 ' C ' ' CG2' ' A' ' 93' ' ' THR . 0.0 OUTLIER -101.21 49.51 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.572 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 20.0 p -150.46 152.42 34.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 110.355 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.2 tt0 -36.21 150.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.572 ' CD2' ' O ' ' A' ' 93' ' ' THR . 10.5 m-85 -159.02 -178.52 7.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.506 ' CD2' ' OG ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -78.63 149.16 32.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.902 HG13 ' O ' ' A' ' 24' ' ' THR . 74.0 t -136.45 130.27 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.829 HG23 ' OG1' ' A' ' 58' ' ' THR . 4.4 mm -123.2 127.27 74.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.82 ' CB ' HG23 ' A' ' 23' ' ' ILE . 12.4 tt0 -95.84 147.18 23.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.692 ' CE1' HD12 ' A' ' 53' ' ' ILE . 3.4 p90 -148.26 165.06 32.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -131.42 154.81 48.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 9.1 t -91.76 105.28 17.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.519 0.199 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.89 130.82 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.85 13.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 1.8 t30 -102.0 158.06 16.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 3.7 m-20 -94.6 -52.18 4.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.812 HD12 ' NH1' ' A' ' 26' ' ' ARG . 14.7 tt -151.1 141.8 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.582 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.9 p -101.36 171.48 7.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.441 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.958 ' CD2' HG23 ' A' ' 41' ' ' VAL . 57.7 m-85 -162.21 123.1 2.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.614 ' CE1' ' OD1' ' A' ' 87' ' ' ASP . 7.5 t80 -52.38 161.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.421 ' HA ' ' CG ' ' A' ' 43' ' ' ARG . 1.8 tt0 -50.34 -48.12 55.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.571 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 6.6 mtp180 -54.29 -49.06 70.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 68' ' ' GLU . 6.8 m-85 -63.06 -39.14 93.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.653 ' NE2' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -60.08 -48.95 79.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -58.3 -45.74 87.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -28.76 70.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 100' ' ' PHE . 19.7 mt -71.5 -46.42 63.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.647 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.52 -24.58 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.37 -5.93 47.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.25 45.99 94.52 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -107.13 100.71 10.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.756 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -38.8 102.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -120.65 150.36 41.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.61 ' H ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -95.86 160.36 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.845 ' O ' HG13 ' A' ' 97' ' ' VAL . 64.7 p -131.28 173.75 10.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.737 HG13 HG22 ' A' ' 97' ' ' VAL . 4.7 mp -129.81 137.64 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.812 ' NH1' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -135.72 171.15 14.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.578 ' HA ' ' CE1' ' A' ' 95' ' ' PHE . 17.4 t0 -97.35 129.71 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -50.18 -45.13 53.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.0 p -57.22 -17.53 11.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.026 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -129.18 16.91 6.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -107.2 95.22 5.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.78 114.11 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.589 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -179.14 -146.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 111.052 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.84 151.51 23.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.0 m -73.85 165.35 25.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.69 14.41 72.58 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -104.17 -170.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.774 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.687 HG13 ' CG2' ' A' ' 52' ' ' THR . 1.2 t -100.83 149.85 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.606 HD12 HG22 ' A' ' 55' ' ' VAL . 15.2 mt -135.59 103.41 5.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.75 127.85 27.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.958 HG23 ' CD2' ' A' ' 8' ' ' PHE . 7.2 p -116.83 144.57 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' A' ' 48' ' ' GLY . . . -173.17 146.09 8.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.473 ' CB ' ' HB2' ' A' ' 47' ' ' ASP . 2.1 ttp180 -75.91 126.99 32.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 110.251 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -63.19 -27.78 69.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -44.94 -48.47 11.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.27 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER 159.21 46.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.473 ' HB2' ' CB ' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -100.27 -50.3 3.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.494 ' O ' ' C ' ' A' ' 49' ' ' TYR . . . 83.92 -153.56 29.74 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.503 ' O ' ' N ' ' A' ' 51' ' ' CYS . 81.3 t80 -29.98 -46.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 0.72 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.653 ' CD2' ' NE2' ' A' ' 13' ' ' GLN . 3.0 t80 51.9 -86.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.511 ' SG ' ' CD1' ' A' ' 50' ' ' PHE . 47.1 m -148.82 -175.36 4.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 108.326 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.687 ' CG2' HG13 ' A' ' 38' ' ' VAL . 77.3 m -132.62 151.53 51.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.624 HD12 ' CD1' ' A' ' 100' ' ' PHE . 3.8 pt -132.52 173.31 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -117.27 144.34 44.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -71.31 156.01 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.4 HG22 ' C ' ' A' ' 99' ' ' GLU . 14.4 t -127.8 -42.55 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -160.59 169.15 23.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.954 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.2 m -149.17 151.76 34.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.3 168.68 26.57 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.165 . . . . 0.0 110.058 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.509 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -111.99 106.54 15.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.394 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.524 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.08 172.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.502 HG23 ' N ' ' A' ' 94' ' ' GLN . 0.4 OUTLIER -67.89 -152.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.427 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.701 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -103.64 -70.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.46 ' HA ' HG22 ' A' ' 67' ' ' THR . 0.5 OUTLIER -56.69 -9.07 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.467 ' H ' ' C ' ' A' ' 63' ' ' LEU . 1.0 OUTLIER -74.85 -3.81 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.426 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.776 HD21 HG21 ' A' ' 97' ' ' VAL . 2.5 pp -172.4 -40.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.954 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -43.93 154.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -50.78 -22.66 2.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.954 ' H ' HG23 ' A' ' 67' ' ' THR . 70.7 tttt -48.77 -32.67 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -66.87 -54.86 18.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.606 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.99 -36.37 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.572 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -71.52 -45.1 63.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.47 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -49.79 -36.43 26.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.75 29.3 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -149.25 -60.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.572 ' N ' ' O ' ' A' ' 72' ' ' GLU . 28.4 mmt -90.82 177.88 6.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.447 ' O ' HD23 ' A' ' 81' ' ' LEU . 7.6 t -86.97 -174.5 4.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.439 ' N ' ' OG1' ' A' ' 77' ' ' THR . 4.3 mp -70.4 -38.93 74.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.4 -52.46 64.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.405 ' OE1' ' SD ' ' A' ' 76' ' ' MET . 2.8 mt-10 -57.14 -43.88 82.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.544 HD13 ' CG ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -57.97 -39.01 77.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -70.28 -31.0 68.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -66.12 -53.16 41.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 81' ' ' LEU . 8.8 m -61.92 -38.22 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.524 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -61.48 -37.76 78.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.3 -25.81 55.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.614 ' OD1' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -80.1 -30.03 39.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.626 HG23 ' CD2' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -84.3 -57.81 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.626 ' CD2' HG23 ' A' ' 88' ' ' ILE . 8.8 p90 166.39 145.73 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.4 Cg_endo -75.01 130.99 13.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.506 1.793 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 128.24 121.03 2.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.701 ' HA ' HD21 ' A' ' 63' ' ' LEU . 7.5 tm0? -115.79 72.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.249 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 94' ' ' GLN . 14.9 p -147.24 152.36 38.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.502 ' N ' HG23 ' A' ' 62' ' ' THR . 32.7 mt-30 -35.42 144.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.578 ' CE1' ' HA ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -161.36 -178.14 6.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.425 ' HD2' HD11 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -80.2 139.74 36.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.907 ' C ' HD13 ' A' ' 98' ' ' ILE . 71.8 t -125.3 129.49 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.954 HG23 ' OG1' ' A' ' 58' ' ' THR . 2.6 mm -122.6 130.77 74.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.528 ' CB ' HG23 ' A' ' 23' ' ' ILE . 1.6 tt0 -97.15 155.87 16.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' A' ' 53' ' ' ILE . 5.4 p90 -148.67 157.0 43.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.709 ' HE2' HD23 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -146.51 146.82 30.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.4 t -92.18 123.33 35.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 108.311 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.709 HD23 ' HE2' ' A' ' 101' ' ' LYS . 5.3 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.7 mtt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.511 0.196 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 64.76 156.8 0.12 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.93 13.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.431 1.753 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.442 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 0.8 OUTLIER -56.57 159.21 3.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.442 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 56.1 m-20 -99.28 -51.42 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.78 HD12 ' NE ' ' A' ' 26' ' ' ARG . 7.8 tt -139.65 143.95 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.598 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -107.71 166.76 10.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 7' ' ' THR . 8.3 m-85 -154.05 114.24 3.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.628 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 6.6 t80 -37.16 156.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.51 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -47.86 -51.59 22.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.579 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 19.9 mtp85 -54.36 -45.09 72.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.94 -39.26 93.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -48.38 81.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.457 ' HA ' HD23 ' A' ' 17' ' ' LEU . 7.2 t70 -60.16 -48.43 81.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -53.88 -36.81 63.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.24 -44.19 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.62 -26.94 64.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.47 7.79 18.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 75.85 -126.25 8.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER 41.66 93.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 0.787 . . . . 0.0 110.311 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.88 147.04 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.1 m -140.35 149.79 43.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.375 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.787 HG23 ' CB ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -96.91 156.45 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.909 ' O ' HG13 ' A' ' 97' ' ' VAL . 31.0 p -125.42 173.21 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.756 HG13 HG22 ' A' ' 97' ' ' VAL . 4.1 mp -132.68 135.56 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.78 ' NE ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -132.62 172.03 13.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 35.9 t0 -104.13 127.19 51.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -50.07 -40.04 44.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.405 ' OG ' ' CG ' ' A' ' 27' ' ' ASP . 90.6 p -60.95 -18.41 56.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -119.41 17.11 13.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -38.91 131.07 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.623 ' NE2' HD21 ' A' ' 39' ' ' LEU . 30.6 p-80 -114.59 -138.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.544 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 1.8 m-30 -62.2 -168.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -134.42 -164.74 1.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.3 m -74.25 148.86 41.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.432 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.31 -15.98 57.08 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -85.1 -169.71 2.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.53 HG13 ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -109.25 145.1 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.623 HD21 ' NE2' ' A' ' 32' ' ' HIS . 20.3 mt -126.77 109.29 11.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.538 ' HG2' ' CD1' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -69.94 114.41 8.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.4 p -86.75 147.03 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 48' ' ' GLY . . . -156.26 -134.44 1.81 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -157.18 145.2 19.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 0.815 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.542 ' CD2' ' O ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -76.34 -34.8 58.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.3 -49.28 34.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER 168.71 -35.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -38.52 -31.99 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.489 ' O ' ' CA ' ' A' ' 42' ' ' GLY . . . 43.86 -155.86 0.22 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.538 ' CD1' ' HG2' ' A' ' 40' ' ' ARG . 7.2 t80 -40.75 118.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.81 -38.57 2.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.5 m -149.72 -178.64 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 108.295 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.53 ' CG2' HG13 ' A' ' 38' ' ' VAL . 25.2 m -129.79 149.13 51.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.955 HD11 ' HB2' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -144.0 169.8 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.751 ' N ' HD12 ' A' ' 53' ' ' ILE . 3.6 tt0 -112.13 137.23 50.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -58.95 159.98 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.241 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.473 HG22 ' C ' ' A' ' 99' ' ' GLU . 8.9 t -123.99 -40.4 2.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.82 169.37 18.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.934 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.6 m -146.14 150.7 36.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.14 168.35 27.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.962 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.526 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -113.54 106.37 14.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.54 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -158.52 173.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.281 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.747 ' OG1' HG21 ' A' ' 65' ' ' THR . 0.2 OUTLIER -68.87 -153.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.515 ' O ' ' HB ' ' A' ' 67' ' ' THR . 0.6 OUTLIER -102.5 -67.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.451 ' OD1' ' CG ' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -64.68 -7.17 9.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.381 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.747 HG21 ' OG1' ' A' ' 62' ' ' THR . 0.7 OUTLIER -73.46 -6.83 48.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.76 HD12 ' N ' ' A' ' 67' ' ' THR . 4.1 pp -167.76 -46.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.928 HG23 ' H ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -43.38 150.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.4 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.69 -24.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.928 ' H ' HG23 ' A' ' 67' ' ' THR . 0.1 OUTLIER -46.6 -30.65 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 5.4 t60 -63.11 -52.15 63.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.639 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.57 -43.48 84.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 76' ' ' MET . 6.6 tt0 -63.74 -43.42 96.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.506 ' N ' HD11 ' A' ' 81' ' ' LEU . 1.2 tt0 -53.77 -37.08 63.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.33 27.19 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -144.07 -60.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.546 ' N ' ' O ' ' A' ' 72' ' ' GLU . 14.0 mmt -90.66 177.32 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.447 HG23 ' HB ' ' A' ' 79' ' ' THR . 4.2 t -92.19 176.94 6.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.403 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.408 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.2 OUTLIER -61.64 -35.89 79.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.447 ' HB ' HG23 ' A' ' 77' ' ' THR . 1.2 m -56.56 -49.83 73.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.51 -49.64 68.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.506 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -53.41 -38.14 63.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -70.48 -37.68 74.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -52.79 63.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.511 HG12 ' CE2' ' A' ' 9' ' ' PHE . 17.2 m -64.8 -37.32 79.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.46 ' O ' HG22 ' A' ' 88' ' ' ILE . 1.2 mm -58.49 -36.84 61.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.7 -33.38 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.628 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -71.29 -31.98 68.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.645 HG23 ' CG ' ' A' ' 89' ' ' TYR . 0.5 OUTLIER -83.47 -57.38 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.645 ' CG ' HG23 ' A' ' 88' ' ' ILE . 8.3 p90 163.43 145.73 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 142.25 27.87 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 117.94 117.59 2.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.474 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -115.48 68.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.27 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.0 p -142.14 152.54 43.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.415 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.72 ' N ' HG23 ' A' ' 62' ' ' THR . 2.8 mt-30 -41.87 143.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.54 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -161.96 -177.62 5.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -73.62 142.49 46.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.964 ' C ' HD13 ' A' ' 98' ' ' ILE . 66.9 t -130.96 128.36 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.964 HD13 ' C ' ' A' ' 97' ' ' VAL . 1.9 mm -121.25 128.42 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.787 ' CB ' HG23 ' A' ' 23' ' ' ILE . 9.3 tt0 -95.28 139.14 32.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.955 ' HB2' HD11 ' A' ' 53' ' ' ILE . 24.4 p90 -138.13 152.63 48.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -159.24 155.7 27.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.6 t -91.03 128.04 36.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.7 mtt . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.483 0.182 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.41 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 1.2 tt0 177.72 63.69 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 2' ' ' GLN . 18.3 Cg_endo -74.9 173.33 14.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -72.42 174.88 6.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.82 -37.5 3.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.751 HD12 ' HD3' ' A' ' 26' ' ' ARG . 10.9 tt -162.78 139.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.4 p -106.97 168.26 9.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.405 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.562 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 65.2 m-85 -154.46 116.17 4.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.68 ' HE2' HG12 ' A' ' 84' ' ' VAL . 7.6 t80 -42.74 161.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -51.8 -54.05 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.549 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -49.86 -50.42 45.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -29.9 70.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -66.36 -48.19 70.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.952 ' HA ' HD23 ' A' ' 17' ' ' LEU . 12.0 t70 -62.2 -45.9 91.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -54.61 -43.33 72.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.0 mt -68.59 -41.46 82.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.952 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -59.91 -24.96 64.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.91 -3.91 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.99 76.01 0.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 21' ' ' LYS . 34.9 mtt180 -141.76 94.29 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 0.783 . . . . 0.0 110.328 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -38.68 101.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -119.18 159.32 24.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.858 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -96.79 153.66 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.898 ' O ' HG13 ' A' ' 97' ' ' VAL . 10.9 p -119.58 173.64 6.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.38 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.818 HG13 HG22 ' A' ' 97' ' ' VAL . 4.7 mp -132.28 138.78 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.751 ' HD3' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -139.66 172.23 13.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 31' ' ' SER . 12.9 t0 -99.78 130.1 45.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.416 ' CA ' ' OE2' ' A' ' 28' ' ' GLU . 2.7 tp10 -48.47 -44.6 35.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -56.08 -20.54 17.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.992 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -130.2 20.3 5.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -107.08 102.48 11.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -156.18 114.79 3.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -179.53 -160.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -149.49 157.98 43.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.7 m -75.59 157.11 34.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.73 -14.11 44.03 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.582 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 1.3 m-20 -75.86 -173.94 2.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.766 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -104.56 147.55 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' ' 53' ' ' ILE . 12.0 mt -126.28 116.06 20.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 115.91 9.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 51' ' ' CYS . 1.5 m -105.6 132.8 51.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.455 ' O ' ' NE2' ' A' ' 13' ' ' GLN . . . -132.66 -158.48 8.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.445 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -137.64 144.17 41.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 110.252 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 87' ' ' ASP . 9.0 t80 -75.43 -30.79 60.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -48.7 -49.23 38.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -179.74 -61.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.3 18.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -37.9 141.1 0.39 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.577 ' CZ ' ' SG ' ' A' ' 51' ' ' CYS . 50.7 t80 39.73 -91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.527 ' N ' ' O ' ' A' ' 48' ' ' GLY . 0.3 OUTLIER 68.78 109.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.577 ' SG ' ' CZ ' ' A' ' 49' ' ' TYR . 86.7 m -152.28 -169.39 3.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 108.278 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.766 HG22 HG13 ' A' ' 38' ' ' VAL . 1.3 m -119.03 141.73 48.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.389 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.794 HD12 ' N ' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -132.75 171.96 17.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.794 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.3 tt0 -118.3 145.94 44.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -74.2 158.03 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.451 HG22 ' C ' ' A' ' 99' ' ' GLU . 5.5 t -129.52 -41.65 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -159.81 169.51 23.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.969 ' OG1' HG23 ' A' ' 98' ' ' ILE . 2.0 m -144.15 151.03 38.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.14 169.98 23.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.95 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.498 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -115.99 107.77 15.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.442 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.508 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.13 170.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.531 HG23 ' N ' ' A' ' 94' ' ' GLN . 1.4 m -70.29 -154.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.933 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -99.36 -73.44 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.525 ' HA ' HG22 ' A' ' 67' ' ' THR . 4.8 t0 -54.35 -12.34 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.472 ' OG1' ' C ' ' A' ' 62' ' ' THR . 1.3 p -68.98 -5.79 23.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.38 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.621 ' HB2' HD13 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -173.73 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.97 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.3 t -42.11 157.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.438 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -22.46 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.97 ' H ' HG23 ' A' ' 67' ' ' THR . 46.7 tttm -45.62 -44.62 13.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -63.28 -46.46 86.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.612 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.09 -48.62 70.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.636 ' CB ' HD21 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -66.01 -43.48 87.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -34.38 9.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.13 28.12 4.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.323 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.6 m120 -152.98 -62.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.577 ' N ' ' O ' ' A' ' 72' ' ' GLU . 15.4 mmt -90.49 178.58 6.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 8.5 t -88.62 -176.24 5.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.413 ' N ' ' OG1' ' A' ' 77' ' ' THR . 6.9 mp -71.09 -38.46 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -55.94 -54.35 45.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.54 -45.17 73.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.636 HD21 ' CB ' ' A' ' 72' ' ' GLU . 7.9 mt -59.59 -33.37 71.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -33.53 70.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.15 -52.82 30.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.68 HG12 ' HE2' ' A' ' 9' ' ' PHE . 4.4 m -63.88 -43.22 97.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.915 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.1 mm -57.77 -40.26 74.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.58 -25.16 59.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.609 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -81.11 -27.3 35.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.63 HG23 ' CD2' ' A' ' 89' ' ' TYR . 1.2 tt -89.08 -57.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.63 ' CD2' HG23 ' A' ' 88' ' ' ILE . 7.9 p90 166.88 147.88 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.3 Cg_endo -75.05 -172.46 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.25 117.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.933 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -115.41 55.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.325 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.435 ' C ' HG23 ' A' ' 62' ' ' THR . 10.0 p -128.01 152.92 47.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.414 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.531 ' N ' HG23 ' A' ' 62' ' ' THR . 34.6 mt-30 -36.11 147.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.508 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -160.62 -179.23 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.09 131.31 35.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.898 HG13 ' O ' ' A' ' 24' ' ' THR . 73.2 t -116.98 129.85 72.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.969 HG23 ' OG1' ' A' ' 58' ' ' THR . 2.8 mm -121.09 126.88 75.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.858 ' CG ' HG23 ' A' ' 23' ' ' ILE . 12.5 tt0 -97.27 147.39 24.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.643 ' HB2' HD13 ' A' ' 53' ' ' ILE . 4.4 p90 -148.65 166.07 29.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -141.36 149.65 41.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.11 -173.74 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 108.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.4 mtt . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.521 0.201 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.524 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -88.09 -57.93 0.28 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 2' ' ' GLN . 18.4 Cg_endo -74.98 177.53 8.46 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -79.78 175.25 10.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.77 -46.78 6.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.608 HG21 HD22 ' A' ' 39' ' ' LEU . 2.8 tt -156.83 139.13 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.615 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 2.0 p -103.09 169.86 8.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.627 ' CE1' HG22 ' A' ' 41' ' ' VAL . 15.5 m-85 -151.74 130.84 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.62 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 9.6 t80 -46.07 164.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -54.06 -63.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.575 1.172 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.528 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -49.22 -37.38 22.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.686 ' CE1' HG21 ' A' ' 22' ' ' THR . 0.8 OUTLIER -62.93 -42.23 99.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.612 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -63.87 -45.18 90.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.639 ' HA ' HD23 ' A' ' 17' ' ' LEU . 10.9 t70 -57.18 -46.32 82.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.36 -45.75 87.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 13' ' ' GLN . 26.0 mt -58.71 -43.01 86.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.639 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.16 -25.35 61.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.98 8.29 18.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.7 65.59 3.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -127.54 96.73 4.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.304 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' CG ' ' HB2' ' A' ' 101' ' ' LYS . 0.7 OUTLIER -37.73 109.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.686 HG21 ' CE1' ' A' ' 12' ' ' PHE . 89.9 m -115.65 141.85 47.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.753 HG23 ' CB ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -95.15 163.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.845 ' O ' HG13 ' A' ' 97' ' ' VAL . 52.2 p -136.13 168.74 18.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.451 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.878 HG21 ' CE1' ' A' ' 95' ' ' PHE . 4.6 mp -129.08 138.02 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.764 HH21 ' CE1' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -133.03 171.84 13.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -103.62 127.77 51.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -52.45 -40.06 61.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -61.62 -14.06 27.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 31' ' ' SER . 8.6 mt-10 -121.76 14.24 10.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -36.22 119.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.764 ' CE1' HH21 ' A' ' 26' ' ' ARG . 5.8 p80 -112.02 -131.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.62 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.517 ' CE1' ' OD1' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -51.81 -170.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.652 ' O ' HG21 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -145.19 -165.08 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.6 m -77.39 148.01 35.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.89 -14.26 53.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.441 1.088 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.517 ' OD1' ' CE1' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -85.5 -168.66 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.605 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -107.14 148.22 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.608 HD22 HG21 ' A' ' 6' ' ' ILE . 20.8 mt -131.34 108.36 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.81 120.22 19.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.244 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.627 HG22 ' CE1' ' A' ' 8' ' ' PHE . 40.3 t -97.43 137.8 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 48' ' ' GLY . . . -137.03 -134.12 3.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.477 ' HB3' ' CB ' ' A' ' 47' ' ' ASP . 2.5 ttt-85 -159.17 131.53 6.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -31.03 67.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' C ' ' CG ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -47.76 -48.31 30.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.253 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.405 ' CG ' ' C ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER 163.69 -31.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 43' ' ' ARG . 0.4 OUTLIER -42.26 -48.84 5.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 49' ' ' TYR . . . 68.34 -151.73 51.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' GLY . 3.4 t80 -36.28 120.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.41 ' C ' ' SG ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -121.23 -57.04 1.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.41 ' SG ' ' C ' ' A' ' 50' ' ' PHE . 5.4 m -148.86 177.48 9.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 108.354 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.605 HG22 HG13 ' A' ' 38' ' ' VAL . 2.4 m -122.22 149.92 43.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.966 HD11 ' HB2' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -144.41 171.18 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.705 ' N ' HD12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -113.79 139.46 49.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.652 HG21 ' O ' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -60.15 157.07 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.421 HG21 ' CD ' ' A' ' 99' ' ' GLU . 10.6 t -121.22 -40.27 2.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.413 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.12 169.14 25.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.962 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.6 m -157.22 139.47 14.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.361 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.83 165.81 33.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.545 HG22 ' CD1' ' A' ' 96' ' ' TYR . 1.0 OUTLIER -99.25 116.02 30.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 110.388 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.525 HG22 ' C ' ' A' ' 60' ' ' THR . 0.0 OUTLIER -158.3 175.62 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.536 HG23 ' HG3' ' A' ' 94' ' ' GLN . 1.1 m -71.94 -153.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.845 HD13 HD11 ' A' ' 85' ' ' ILE . 1.2 pp -100.64 -69.88 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.547 ' N ' HD12 ' A' ' 63' ' ' LEU . 2.8 t0 -59.96 -8.16 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.462 HG23 ' HB ' ' A' ' 62' ' ' THR . 1.2 p -72.79 -7.46 50.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.656 HD13 ' HB ' ' A' ' 23' ' ' ILE . 3.8 pp -170.87 -41.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.947 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -41.87 153.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.0 -23.59 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.947 ' H ' HG23 ' A' ' 67' ' ' THR . 56.2 tttt -49.78 -30.28 9.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -71.31 -55.47 7.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.63 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.84 -36.39 69.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.674 ' OE2' HG11 ' A' ' 84' ' ' VAL . 2.7 tt0 -72.93 -44.48 61.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.483 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -49.77 -35.48 22.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.69 28.5 4.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -147.72 -62.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 72' ' ' GLU . 38.0 mmt -90.61 178.45 6.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.432 ' O ' HD23 ' A' ' 81' ' ' LEU . 7.6 t -86.84 -174.59 5.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.432 ' N ' ' OG1' ' A' ' 77' ' ' THR . 1.5 mp -71.4 -38.43 71.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 m -56.36 -57.33 12.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.1 -42.64 69.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.483 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -56.44 -41.06 75.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -68.11 -33.8 75.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -63.51 -53.78 46.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.247 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.674 HG11 ' OE2' ' A' ' 72' ' ' GLU . 5.8 m -64.75 -41.49 92.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.845 HD11 HD13 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -60.14 -36.4 67.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.37 -24.67 50.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.62 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -82.51 -28.04 31.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.671 HG23 ' CD2' ' A' ' 89' ' ' TYR . 1.1 tt -85.53 -57.81 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.671 ' CD2' HG23 ' A' ' 88' ' ' ILE . 14.3 p90 166.5 139.09 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.2 Cg_endo -75.07 175.66 10.95 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.47 124.42 2.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.47 70.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.658 ' O ' ' CE2' ' A' ' 95' ' ' PHE . 13.7 p -131.43 152.84 50.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.39 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.536 ' HG3' HG23 ' A' ' 62' ' ' THR . 5.2 mt-30 -69.0 146.92 52.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.878 ' CE1' HG21 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -163.0 -177.93 5.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.545 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.4 OUTLIER -65.0 151.46 45.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 1.015 ' C ' HD13 ' A' ' 98' ' ' ILE . 65.7 t -138.14 127.05 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.015 HD13 ' C ' ' A' ' 97' ' ' VAL . 1.3 mm -116.68 125.57 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.753 ' CB ' HG23 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -96.47 136.7 36.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.966 ' HB2' HD11 ' A' ' 53' ' ' ILE . 33.2 p90 -129.9 152.08 49.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.471 ' HB2' ' CG ' ' A' ' 21' ' ' LYS . 1.3 pttp -157.08 154.27 29.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.363 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.8 t -90.89 125.52 35.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 108.304 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.1 mtt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.536 0.208 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -169.24 114.23 0.52 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.63 12.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -59.74 172.7 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.75 -40.38 10.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.842 HD12 ' NH1' ' A' ' 26' ' ' ARG . 6.4 tt -164.05 149.68 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.618 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.1 p -114.56 161.1 18.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 7' ' ' THR . 1.9 m-85 -151.53 130.7 12.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.848 ' CZ ' ' CD2' ' A' ' 12' ' ' PHE . 3.6 p90 -50.47 178.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -64.45 -44.65 90.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.603 ' HD2' HG12 ' A' ' 84' ' ' VAL . 0.9 OUTLIER -50.87 -29.25 11.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.848 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -78.59 -35.29 45.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.731 ' HA ' HD23 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -71.19 -54.34 11.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -51.27 -52.05 48.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.6 mt -54.77 -45.19 73.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.0 -25.88 61.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.54 15.18 8.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 62.77 -126.1 36.42 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 44.09 94.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 0.728 . . . . 0.0 110.276 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -38.14 147.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.3 m -138.98 146.71 41.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.383 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.591 HG22 ' CG1' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -95.4 162.23 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.831 ' O ' HG13 ' A' ' 97' ' ' VAL . 67.0 p -145.14 171.08 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.738 HG13 HG22 ' A' ' 97' ' ' VAL . 4.1 mp -124.75 140.89 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.842 ' NH1' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -136.3 172.36 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 110.268 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -105.74 130.08 53.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.251 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -51.16 -39.43 56.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 p -64.72 -20.89 66.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 31' ' ' SER . 32.8 mt-10 -116.24 16.96 15.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.84 110.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.592 ' CE1' ' CD2' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -78.7 -136.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.619 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -70.94 -171.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.674 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -119.73 -171.37 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.4 m -75.28 147.61 40.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.5 -14.06 48.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -87.69 -170.08 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.5 HG13 HG22 ' A' ' 52' ' ' THR . 1.0 OUTLIER -108.03 147.45 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.592 ' CD2' ' CE1' ' A' ' 32' ' ' HIS . 24.5 mt -127.33 105.86 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.677 ' HG3' HG23 ' A' ' 52' ' ' THR . 0.1 OUTLIER -67.53 140.24 56.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -136.16 173.66 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' HA2' ' CB ' ' A' ' 50' ' ' PHE . . . -177.54 -114.75 0.41 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -139.35 127.92 23.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.488 ' CE1' ' O ' ' A' ' 87' ' ' ASP . 2.0 t80 -73.75 -25.02 59.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.03 -47.4 22.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 170.73 -33.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.78 -63.77 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' TYR . . . 58.2 155.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.408 ' O ' ' O ' ' A' ' 48' ' ' GLY . 10.3 t80 43.91 96.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.401 ' CB ' ' HA2' ' A' ' 42' ' ' GLY . 0.8 OUTLIER -136.17 -43.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.1 m -142.24 177.85 7.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.28 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.677 HG23 ' HG3' ' A' ' 40' ' ' ARG . 11.2 m -131.24 154.25 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.662 HD11 ' CG ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -142.6 171.89 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -117.94 154.1 32.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.233 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.674 HG21 ' O ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -80.86 159.1 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.409 HG22 ' C ' ' A' ' 99' ' ' GLU . 14.7 t -133.22 -44.04 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.35 168.35 24.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.81 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.4 m -156.39 142.94 18.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.408 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.82 166.31 33.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.515 HG22 ' CD1' ' A' ' 96' ' ' TYR . 0.8 OUTLIER -104.13 111.39 23.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.367 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.512 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -157.14 171.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.468 ' C ' ' OG1' ' A' ' 65' ' ' THR . 1.4 m -69.58 -153.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.715 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -99.46 -72.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.236 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.455 ' HA ' HG22 ' A' ' 67' ' ' THR . 1.9 t0 -56.82 -9.59 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.468 ' OG1' ' C ' ' A' ' 62' ' ' THR . 1.3 p -72.13 -4.76 30.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.723 HD21 HG21 ' A' ' 97' ' ' VAL . 3.3 pp -173.94 -39.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.921 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -43.4 155.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -23.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.921 ' H ' HG23 ' A' ' 67' ' ' THR . 29.1 tttt -46.97 -31.33 3.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -75.4 -51.78 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.565 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.74 -53.27 58.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.658 ' HB3' HD21 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -63.46 -42.43 98.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.564 ' CA ' HD11 ' A' ' 81' ' ' LEU . 8.3 tt0 -47.97 -35.95 11.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.09 30.26 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 72' ' ' GLU . 17.0 t-20 -151.58 -62.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.549 ' N ' ' O ' ' A' ' 72' ' ' GLU . 39.0 mmt -89.71 -179.82 5.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 t -89.51 -178.63 5.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.437 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.25 -35.15 71.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.92 -52.68 64.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.82 -47.33 82.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.658 HD21 ' HB3' ' A' ' 72' ' ' GLU . 9.7 mt -60.17 -31.88 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -71.02 -33.66 70.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -53.29 39.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.603 HG12 ' HD2' ' A' ' 11' ' ' ARG . 4.4 m -62.84 -42.32 95.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.802 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.0 OUTLIER -60.82 -36.92 74.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.76 -21.65 51.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.488 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -85.44 -27.74 25.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.813 HD12 ' HE2' ' A' ' 9' ' ' PHE . 1.9 tt -84.55 -57.75 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.653 ' CD2' HG23 ' A' ' 88' ' ' ILE . 11.8 p90 168.42 141.3 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.5 Cg_endo -74.97 152.83 41.38 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.03 122.16 3.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.715 ' HA ' HD21 ' A' ' 63' ' ' LEU . 5.0 tm0? -111.73 98.33 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.461 ' CG2' ' C ' ' A' ' 92' ' ' GLN . 17.0 p -151.84 151.87 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.426 ' N ' HG23 ' A' ' 62' ' ' THR . 11.0 mt-30 -41.07 141.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.512 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -161.73 -178.52 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.515 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.1 OUTLIER -77.24 140.77 40.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 111.019 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.831 HG13 ' O ' ' A' ' 24' ' ' THR . 79.7 t -125.56 132.29 71.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.81 HG23 ' OG1' ' A' ' 58' ' ' THR . 4.3 mm -125.52 121.71 60.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.532 ' CB ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -97.65 145.84 25.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.337 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.662 ' CG ' HD11 ' A' ' 53' ' ' ILE . 2.0 p90 -148.47 165.23 31.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.61 ' HE3' HD23 ' A' ' 103' ' ' LEU . 2.2 pttt -135.81 155.88 49.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.8 t -91.24 124.41 35.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 108.253 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.61 HD23 ' HE3' ' A' ' 101' ' ' LYS . 2.3 pp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.521 0.201 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.406 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -59.69 138.97 89.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 2' ' ' GLN . 18.3 Cg_endo -75.03 172.15 16.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.37 155.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.462 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 1.3 m-20 -90.06 -45.53 9.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.75 HG21 ' HG ' ' A' ' 39' ' ' LEU . 2.8 tt -154.4 141.67 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.53 156.51 17.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 1.068 ' CE1' HG12 ' A' ' 41' ' ' VAL . 83.3 m-85 -144.27 113.85 7.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.606 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 8.1 t80 -39.28 160.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -49.33 -54.72 15.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.54 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 35.4 mtp85 -51.28 -41.53 60.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 68' ' ' GLU . 11.2 m-85 -71.73 -32.06 67.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -46.03 75.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.91 ' HA ' HD23 ' A' ' 17' ' ' LEU . 5.3 t0 -65.06 -50.99 64.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.14 -48.18 61.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' ' 12' ' ' PHE . 45.2 mt -62.12 -44.16 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.91 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.99 -28.62 66.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.77 11.9 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 80.63 -126.01 7.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER 42.77 93.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' CD ' ' OE2' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -43.0 158.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.5 m -152.01 152.58 32.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.927 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -102.11 148.07 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.909 ' O ' HG13 ' A' ' 97' ' ' VAL . 15.1 p -115.1 174.59 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.931 HG13 HG22 ' A' ' 97' ' ' VAL . 4.6 mp -135.93 122.79 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.792 HH21 ' H ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -122.36 171.87 8.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.577 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 10.7 t0 -98.04 128.52 44.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.41 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 8.4 tp10 -54.34 -41.93 69.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -63.04 -12.99 30.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' SER . 4.6 mm-40 -120.06 8.66 11.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.245 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -36.57 107.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.416 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -108.11 -132.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.568 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 5' ' ' ASP . 39.6 m-85 -41.54 164.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.539 ' O ' HG21 ' A' ' 55' ' ' VAL . 11.3 mttt -131.85 -167.83 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m -68.22 141.11 56.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.68 -13.81 66.5 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.635 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -88.4 -171.25 3.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 0.793 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.678 HG13 HG22 ' A' ' 52' ' ' THR . 1.0 OUTLIER -106.54 149.72 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.75 ' HG ' HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -123.38 103.68 8.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.429 ' HG3' HG23 ' A' ' 52' ' ' THR . 2.7 ttm180 -71.67 119.92 16.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 1.068 HG12 ' CE1' ' A' ' 8' ' ' PHE . 28.7 m -106.0 135.06 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 48' ' ' GLY . . . -131.94 -131.9 3.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -157.78 127.82 6.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -68.45 -29.26 67.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -48.95 -48.72 42.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 0.3 OUTLIER 162.03 -29.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.73 -43.42 18.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.483 ' O ' ' CA ' ' A' ' 42' ' ' GLY . . . 69.55 -151.45 50.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 48' ' ' GLY . 15.9 t80 -36.51 122.7 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.409 ' C ' ' SG ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -117.5 -56.29 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.409 ' SG ' ' C ' ' A' ' 50' ' ' PHE . 8.5 m -149.26 177.83 9.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 108.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.678 HG22 HG13 ' A' ' 38' ' ' VAL . 1.7 m -121.33 143.8 48.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.648 ' CD1' ' CG ' ' A' ' 100' ' ' PHE . 4.8 pt -133.95 173.21 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -118.64 149.75 40.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -72.38 158.07 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.441 ' CB ' ' HG3' ' A' ' 101' ' ' LYS . 5.8 t -127.09 -42.47 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -156.12 169.82 23.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.755 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.9 m -147.42 150.89 35.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.61 169.97 23.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.509 HG22 ' CD1' ' A' ' 96' ' ' TYR . 0.4 OUTLIER -113.7 103.76 11.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.371 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 60' ' ' THR . 0.2 OUTLIER -156.25 172.5 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.75 HG23 ' N ' ' A' ' 94' ' ' GLN . 0.2 OUTLIER -71.58 -153.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.793 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.6 OUTLIER -101.14 -69.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.457 ' HA ' HG22 ' A' ' 67' ' ' THR . 5.4 t0 -57.53 -9.76 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.447 ' H ' ' C ' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -75.29 -1.38 23.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.446 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.722 HD21 HG21 ' A' ' 97' ' ' VAL . 2.0 pp -174.27 -41.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.915 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -42.71 153.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.436 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 3.4 mt-10 -48.66 -23.57 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.927 ' HD2' HD11 ' A' ' 85' ' ' ILE . 18.8 tttm -49.14 -29.97 6.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -70.23 -54.76 11.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.563 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.19 74.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.85 ' OE1' HG11 ' A' ' 84' ' ' VAL . 2.8 tt0 -71.11 -43.72 67.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.488 ' N ' HD11 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -50.66 -38.41 46.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -96.94 27.55 3.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -145.15 -62.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.514 ' N ' ' O ' ' A' ' 72' ' ' GLU . 14.4 mmt -91.0 177.07 6.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 1.5 t -86.36 176.81 7.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.1 OUTLIER -64.03 -38.93 92.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.39 -57.17 13.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.449 ' H ' HG23 ' A' ' 77' ' ' THR . 1.7 mt-10 -53.68 -44.8 70.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.34 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.488 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -55.51 -39.87 71.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -69.61 -32.14 70.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -53.05 46.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.85 HG11 ' OE1' ' A' ' 72' ' ' GLU . 4.5 m -66.3 -41.04 88.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.927 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.8 mm -60.82 -38.62 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.99 -23.95 52.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.606 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -82.88 -27.16 30.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.6 HG23 ' CD2' ' A' ' 89' ' ' TYR . 1.9 tt -88.18 -57.37 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.6 ' CD2' HG23 ' A' ' 88' ' ' ILE . 8.6 p90 168.62 146.57 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -169.7 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.25 112.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.793 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -115.38 81.69 1.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.468 ' CG2' ' C ' ' A' ' 92' ' ' GLN . 18.6 p -152.06 152.75 32.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.438 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.75 ' N ' HG23 ' A' ' 62' ' ' THR . 4.8 mt-30 -34.93 144.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.577 ' CD1' ' HA ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -161.5 -178.69 6.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.509 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -85.67 121.75 28.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.931 HG22 HG13 ' A' ' 25' ' ' ILE . 73.0 t -101.42 137.27 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.902 HD13 ' O ' ' A' ' 97' ' ' VAL . 4.5 mm -128.35 121.73 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.927 ' CG ' HG23 ' A' ' 23' ' ' ILE . 15.2 tt0 -95.47 154.82 17.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.648 ' CG ' ' CD1' ' A' ' 53' ' ' ILE . 4.8 p90 -145.85 160.87 41.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.441 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 20.0 mttt -129.11 147.59 50.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.6 t -92.15 124.44 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 108.295 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.295 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.6 mtt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.49 0.186 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.498 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 1.8 tp60 -173.28 59.8 0.24 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.498 ' HD3' ' N ' ' A' ' 2' ' ' GLN . 18.3 Cg_endo -74.92 173.65 14.11 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -62.26 179.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.456 ' HB3' HD23 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -73.77 -50.07 22.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.71 HD12 ' NE ' ' A' ' 26' ' ' ARG . 13.4 tt -164.03 143.4 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.613 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.7 p -112.36 169.77 8.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.385 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.726 ' CE1' HG12 ' A' ' 41' ' ' VAL . 5.3 m-85 -157.62 149.3 21.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.625 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 10.7 t80 -76.54 160.21 29.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.427 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.8 OUTLIER -48.41 -47.55 37.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.584 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 27.5 mtp85 -61.86 -45.44 93.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.449 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.9 OUTLIER -61.21 -36.22 79.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' CD ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.29 -46.77 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.11 -45.21 83.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 46.0 t0 -60.07 -43.66 95.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.449 HD11 ' CD1' ' A' ' 12' ' ' PHE . 58.4 mt -61.4 -42.97 95.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.766 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.42 -24.92 61.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -76.81 -1.21 27.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.92 69.81 1.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -137.3 94.84 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -37.45 102.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 m -110.36 155.48 22.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.617 HG22 ' CG1' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -95.51 162.62 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.941 ' O ' HG13 ' A' ' 97' ' ' VAL . 21.7 p -141.1 170.78 15.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.777 HG13 HG22 ' A' ' 97' ' ' VAL . 4.1 mp -128.24 136.87 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.71 ' NE ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -132.25 171.93 13.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 31' ' ' SER . 23.6 t0 -95.8 127.93 42.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -49.41 -39.84 34.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.5 p -61.5 -16.86 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ASP . 4.8 mt-10 -132.84 17.94 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -106.8 89.87 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -147.27 113.94 6.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.588 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.18 -158.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -145.54 157.58 43.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.6 m -76.8 160.61 29.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.01 -14.53 43.16 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 55' ' ' VAL . 3.2 m-20 -74.9 -173.64 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.61 HG13 ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -105.86 148.71 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.581 ' O ' HG13 ' A' ' 41' ' ' VAL . 13.5 mt -127.26 106.36 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.4 129.6 41.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.726 HG12 ' CE1' ' A' ' 8' ' ' PHE . 1.8 m -132.17 -178.14 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' ' CD ' ' A' ' 13' ' ' GLN . . . 169.26 -80.32 0.1 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -176.7 134.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.602 ' CE2' ' O ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -71.86 -26.32 62.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.402 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 2.2 tt0 -46.69 -48.05 20.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER 166.86 -30.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' ASP . 3.0 t0 -39.23 -31.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 46' ' ' ASP . . . 46.59 -151.06 1.63 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.571 1.169 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' GLY . 18.9 t80 -35.51 117.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -145.47 -52.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.7 m -126.62 -178.41 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.283 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.61 ' CG2' HG13 ' A' ' 38' ' ' VAL . 20.6 m -140.98 146.32 37.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.843 HD12 ' N ' ' A' ' 54' ' ' GLU . 0.7 OUTLIER -133.01 171.7 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.843 ' N ' HD12 ' A' ' 53' ' ' ILE . 3.6 mt-10 -119.74 139.12 52.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -69.53 163.39 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.493 ' CG2' ' OE1' ' A' ' 99' ' ' GLU . 6.6 t -139.23 -44.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.389 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.21 169.57 19.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.787 HG23 HD13 ' A' ' 98' ' ' ILE . 1.7 m -153.83 146.37 24.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.399 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.94 168.84 26.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.537 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -113.02 105.56 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.385 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.539 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -155.67 173.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.613 HG23 ' C ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -70.68 -157.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.659 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.5 OUTLIER -99.77 -71.3 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -55.14 -8.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.511 ' H ' ' C ' ' A' ' 63' ' ' LEU . 4.1 p -79.81 -1.19 37.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.621 HD21 HG21 ' A' ' 97' ' ' VAL . 3.7 pp -177.17 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.885 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.1 t -41.4 152.04 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.416 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.85 -23.45 7.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.885 ' H ' HG23 ' A' ' 67' ' ' THR . 18.4 tttt -49.22 -36.84 21.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -66.44 -50.26 63.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.612 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.59 -45.86 73.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.701 ' HB3' HD21 ' A' ' 81' ' ' LEU . 0.8 OUTLIER -66.19 -43.3 87.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.597 ' CA ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -48.89 -36.54 17.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.639 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 6.9 tt0 -90.36 20.72 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' GLU . 17.1 t-20 -143.72 -61.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.56 ' N ' ' O ' ' A' ' 72' ' ' GLU . 35.6 mmt -89.86 178.28 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.497 HG23 ' H ' ' A' ' 80' ' ' GLU . 1.4 t -87.0 178.88 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.37 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.494 ' N ' ' OG1' ' A' ' 77' ' ' THR . 2.3 mp -69.08 -37.75 78.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.0 m -56.51 -57.37 12.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.497 ' H ' HG23 ' A' ' 77' ' ' THR . 0.7 OUTLIER -53.87 -44.99 70.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.711 HD22 ' CG ' ' A' ' 69' ' ' LYS . 7.8 mt -59.5 -32.84 70.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.12 -33.6 67.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -67.94 -52.76 32.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.515 HG12 ' HE2' ' A' ' 9' ' ' PHE . 4.5 m -64.53 -44.23 96.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.668 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.2 mm -57.1 -41.35 77.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.88 -26.67 62.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.625 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -79.91 -27.78 39.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.665 HG23 ' CG ' ' A' ' 89' ' ' TYR . 0.2 OUTLIER -87.63 -57.53 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.665 ' CG ' HG23 ' A' ' 88' ' ' ILE . 7.5 p90 163.97 144.9 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.2 Cg_endo -75.01 -162.88 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.99 112.13 0.22 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.614 ' HA ' HD21 ' A' ' 63' ' ' LEU . 8.0 tm0? -115.43 64.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.613 ' C ' HG23 ' A' ' 62' ' ' THR . 23.0 p -147.93 152.39 37.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.43 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.498 ' N ' HG23 ' A' ' 62' ' ' THR . 15.8 mt-30 -37.69 140.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.539 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.6 m-85 -160.69 -177.62 6.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.471 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -75.73 144.52 41.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.941 HG13 ' O ' ' A' ' 24' ' ' THR . 54.3 t -132.04 137.69 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.787 HD13 HG23 ' A' ' 58' ' ' THR . 5.4 mm -129.55 119.14 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.556 ' CB ' HG23 ' A' ' 23' ' ' ILE . 2.6 tm-20 -96.14 143.47 27.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.706 ' CD2' HD13 ' A' ' 53' ' ' ILE . 26.8 p90 -148.07 172.29 14.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 21' ' ' LYS . 11.1 pttt -145.47 152.95 40.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -91.65 -174.4 3.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.327 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.251 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 mtt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.452 0.168 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 22.0 tt0 -127.18 128.99 24.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.263 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 2' ' ' GLN . 18.2 Cg_endo -75.02 178.91 6.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 17.0 t-20 -55.5 170.79 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 4' ' ' ASN . 2.4 m-20 -87.13 -41.5 13.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.93 HD12 ' NE ' ' A' ' 26' ' ' ARG . 5.8 tt -163.43 141.73 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.531 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 2.0 p -101.65 168.97 9.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.4 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.627 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 24.6 m-85 -158.6 131.99 7.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.092 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.83 ' CZ ' ' CD2' ' A' ' 12' ' ' PHE . 4.6 p90 -50.92 -175.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -69.94 -47.07 63.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.557 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 7.1 mtp180 -50.29 -24.99 3.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.83 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -80.22 -34.99 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -42.67 87.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.612 ' HA ' HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -71.74 -52.35 18.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.532 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -55.03 -47.71 74.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 12' ' ' PHE . 58.4 mt -57.55 -44.99 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.612 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.46 -24.67 60.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -77.38 -0.68 26.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 53.81 52.41 42.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' LYS . 93.0 mtt180 -115.0 99.16 7.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 0.76 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' ARG . 1.1 pttm -37.63 100.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ARG . 42.5 m -111.4 150.52 29.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.744 HD13 ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -94.96 161.64 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.92 ' O ' HG13 ' A' ' 97' ' ' VAL . 31.4 p -131.07 171.89 12.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.824 HG13 HG22 ' A' ' 97' ' ' VAL . 4.5 mp -130.45 130.99 65.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.93 ' NE ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -126.96 172.17 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -108.07 128.29 54.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -50.19 -43.4 52.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -14.15 41.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 32' ' ' HIS . 8.5 mm-40 -119.28 13.18 12.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.422 ' O ' ' OG ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -38.43 98.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 0.0 110.009 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.487 ' CE1' ' HE ' ' A' ' 26' ' ' ARG . 0.6 OUTLIER -88.14 -134.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.425 ' N ' ' CG ' ' A' ' 32' ' ' HIS . 9.7 m-85 -51.52 -173.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.515 ' O ' HG21 ' A' ' 55' ' ' VAL . 3.8 mmtm -137.52 -170.76 2.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.1 m -72.35 162.35 29.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.28 18.03 64.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.55 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -123.79 -169.0 1.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.574 HG13 HG22 ' A' ' 52' ' ' THR . 1.2 t -106.39 147.86 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.582 HD12 HG22 ' A' ' 55' ' ' VAL . 26.0 mt -130.09 103.9 7.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.488 ' HG3' HG23 ' A' ' 52' ' ' THR . 0.0 OUTLIER -63.65 138.18 58.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.476 ' CG1' HG12 ' A' ' 53' ' ' ILE . 1.4 m -131.51 168.85 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.01 -105.39 0.19 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.59 127.44 3.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 87' ' ' ASP . 1.2 t80 -73.11 -24.77 60.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 1.6 mm-40 -50.18 -48.7 53.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER 157.34 59.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 48' ' ' GLY . 2.9 t0 -141.02 -62.88 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . 55.23 163.25 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.5 t80 37.85 88.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -134.69 -43.6 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.5 m -142.05 175.15 9.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 108.259 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.574 HG22 HG13 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -125.74 143.42 51.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.779 HD12 ' HB2' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -129.3 171.78 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -125.17 142.56 51.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.604 ' CG1' HG22 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -75.18 159.81 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.7 t -132.74 -44.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.395 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.73 168.63 21.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.838 HG23 ' CD1' ' A' ' 98' ' ' ILE . 4.1 m -146.46 144.98 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.79 166.58 32.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.516 ' C ' HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -106.69 115.61 30.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.529 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -158.09 175.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.774 HG22 ' H ' ' A' ' 63' ' ' LEU . 7.7 m -79.27 -153.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.402 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.784 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.6 OUTLIER -98.99 -70.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.47 ' HA ' HG22 ' A' ' 67' ' ' THR . 9.5 t0 -57.19 -9.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.466 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.3 p -74.18 -2.87 26.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 110.393 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.744 ' HB2' HD13 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -173.35 -41.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.927 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -43.05 153.3 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.3 -23.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.966 ' HD2' HD11 ' A' ' 85' ' ' ILE . 19.4 tttm -49.14 -31.06 7.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -68.11 -54.64 16.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.589 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.42 -37.68 73.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.639 ' OE2' HG11 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -70.21 -44.76 67.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.507 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -51.09 -36.15 38.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.86 28.24 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -147.59 -61.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.515 ' N ' ' O ' ' A' ' 72' ' ' GLU . 12.7 mmt -90.28 177.64 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 7.8 t -89.86 -171.22 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' ' 77' ' ' THR . 2.6 mp -70.83 -37.83 73.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -56.3 -55.4 33.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.374 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.23 -44.53 92.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.514 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -56.52 -34.77 67.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -73.47 -37.62 65.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -54.58 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.639 HG11 ' OE2' ' A' ' 72' ' ' GLU . 27.4 m -57.31 -49.89 78.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.966 HD11 ' HD2' ' A' ' 69' ' ' LYS . 6.2 mm -49.85 -42.01 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.84 -24.16 62.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.601 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -81.07 -29.6 34.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.815 HG22 ' CE2' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -87.86 -62.76 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.815 ' CE2' HG22 ' A' ' 88' ' ' ILE . 3.1 p90 169.75 145.86 0.1 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.64 36.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.776 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.39 123.5 4.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 111.035 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.784 ' HA ' HD21 ' A' ' 63' ' ' LEU . 3.4 tt0 -115.69 54.16 0.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.8 p -122.62 151.69 41.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -45.24 149.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.529 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.6 m-85 -162.1 -177.6 5.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.05 140.16 39.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 111.044 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.92 HG13 ' O ' ' A' ' 24' ' ' THR . 71.4 t -126.47 132.59 70.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.899 HD13 ' O ' ' A' ' 97' ' ' VAL . 4.4 mm -124.4 127.33 73.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.661 ' CB ' HG23 ' A' ' 23' ' ' ILE . 7.9 tt0 -96.6 150.9 20.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.779 ' HB2' HD12 ' A' ' 53' ' ' ILE . 5.2 p90 -148.27 170.66 17.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -152.55 149.08 28.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.4 t -92.3 128.19 38.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 108.294 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.8 mtt . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.549 0.214 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.14 82.65 0.51 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.52 14.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.442 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 3.0 t30 -91.56 159.91 15.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.442 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -93.72 -52.21 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.579 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 3.8 tt -164.38 144.45 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.6 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.4 p -108.38 170.73 7.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 7' ' ' THR . 44.3 m-85 -154.33 134.6 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.568 ' CD2' ' HG3' ' A' ' 11' ' ' ARG . 6.2 t80 -44.08 164.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -56.3 -44.32 79.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.568 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 34.3 mtp85 -49.37 -48.17 47.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.536 ' O ' HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -62.12 -31.76 72.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.537 ' HB3' HH21 ' A' ' 43' ' ' ARG . 0.0 OUTLIER -66.91 -45.87 76.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.132 . . . . 0.0 110.282 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.746 ' HA ' HD23 ' A' ' 17' ' ' LEU . 7.8 t70 -65.08 -57.54 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.94 -42.98 60.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.536 HD12 ' O ' ' A' ' 12' ' ' PHE . 46.0 mt -63.05 -47.0 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.746 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -59.08 -28.52 66.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.53 18.51 7.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 72.3 -116.08 5.68 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.489 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER 45.22 97.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 0.0 110.286 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.489 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -34.02 106.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.1 m -100.78 120.21 39.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.444 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.906 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -96.13 158.81 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.846 ' O ' HG13 ' A' ' 97' ' ' VAL . 68.5 p -138.86 166.92 23.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.816 HG13 HG22 ' A' ' 97' ' ' VAL . 4.1 mp -122.25 140.01 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.439 ' NE ' HG12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -138.99 163.74 31.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' SER . 13.8 t0 -91.42 130.63 37.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -50.12 -43.16 51.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -25.42 48.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -121.68 16.15 11.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.7 t -105.35 105.43 15.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.956 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -158.31 114.73 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.636 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -179.58 -154.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -147.8 157.7 43.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m -80.55 166.26 21.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.91 14.46 63.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.549 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -102.6 -172.75 2.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.636 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -102.85 141.52 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.509 ' O ' HG13 ' A' ' 41' ' ' VAL . 12.2 mt -122.92 109.37 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 134.0 56.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 39' ' ' LEU . 20.1 m -138.48 174.4 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.4 -107.17 0.2 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.537 HH21 ' HB3' ' A' ' 13' ' ' GLN . 7.6 ttm180 175.1 127.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.755 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -64.53 -28.62 69.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.84 -47.32 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -88.75 -47.08 8.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 t0 171.25 -40.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.504 ' O ' ' O ' ' A' ' 49' ' ' TYR . . . 142.46 165.34 10.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.504 ' O ' ' O ' ' A' ' 48' ' ' GLY . 4.8 t80 56.55 137.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.975 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 179.85 -37.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.0 m -132.36 175.99 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 108.329 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.636 HG22 HG13 ' A' ' 38' ' ' VAL . 4.6 m -126.87 147.24 50.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.731 HD13 ' CG ' ' A' ' 100' ' ' PHE . 1.0 OUTLIER -132.15 172.77 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -125.78 139.33 53.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -72.35 161.41 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.481 HG21 ' HE3' ' A' ' 101' ' ' LYS . 13.8 t -141.37 -45.38 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.441 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -144.63 169.73 17.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.965 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.3 m -160.07 140.59 11.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -157.14 168.09 28.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.958 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.58 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -103.39 110.79 22.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 60' ' ' THR . 0.2 OUTLIER -158.28 174.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.66 HG22 ' H ' ' A' ' 63' ' ' LEU . 3.9 m -72.98 -154.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.432 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.66 ' H ' HG22 ' A' ' 62' ' ' THR . 0.8 OUTLIER -99.78 -71.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.434 ' N ' HD12 ' A' ' 63' ' ' LEU . 5.4 t0 -54.73 -9.59 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.485 ' H ' ' C ' ' A' ' 63' ' ' LEU . 1.2 p -76.69 0.3 20.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.645 HD13 ' HB ' ' A' ' 23' ' ' ILE . 1.4 pp -178.93 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.942 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.1 t -41.47 153.16 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.531 ' HG3' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -52.5 -22.6 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.942 ' H ' HG23 ' A' ' 67' ' ' THR . 28.0 tttt -49.14 -35.13 15.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.464 ' CD2' ' C ' ' A' ' 70' ' ' HIS . 1.6 t60 -68.94 -54.98 12.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.59 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.46 -37.38 65.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 76' ' ' MET . 2.2 tt0 -72.66 -43.58 62.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.531 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -48.88 -36.32 16.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.44 26.91 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -145.49 -60.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.522 ' N ' ' O ' ' A' ' 72' ' ' GLU . 19.4 mmm -90.33 178.6 6.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.462 HG23 ' H ' ' A' ' 80' ' ' GLU . 9.4 t -88.29 -177.78 5.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.1 mp -71.26 -38.06 71.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 m -60.1 -45.95 91.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.347 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.482 ' O ' HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -68.03 -37.32 81.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.531 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -61.96 -37.34 84.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -73.13 -38.47 66.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -53.42 57.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 80' ' ' GLU . 14.3 m -63.09 -49.61 82.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.85 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.3 mm -52.56 -40.65 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.54 -22.57 58.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.452 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -83.98 -27.23 28.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.784 HG22 ' CE2' ' A' ' 89' ' ' TYR . 0.3 OUTLIER -95.24 -60.32 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.784 ' CE2' HG22 ' A' ' 88' ' ' ILE . 1.0 OUTLIER 171.93 162.33 0.25 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -41.54 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.25 109.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -86.87 -142.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.754 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.57 ' O ' ' C ' ' A' ' 94' ' ' GLN . 35.6 p -60.19 157.94 12.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.57 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.5 tt0 -23.17 136.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.494 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.3 m-85 -144.26 -177.76 5.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.02 143.78 52.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.846 HG13 ' O ' ' A' ' 24' ' ' THR . 53.1 t -133.85 133.77 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.965 HG23 ' OG1' ' A' ' 58' ' ' THR . 3.2 mm -123.41 118.96 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.906 ' CG ' HG23 ' A' ' 23' ' ' ILE . 16.6 tt0 -95.89 140.39 30.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.351 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.731 ' CG ' HD13 ' A' ' 53' ' ' ILE . 2.7 p90 -148.68 170.21 18.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.481 ' HE3' HG21 ' A' ' 56' ' ' THR . 58.3 mttt -126.02 163.73 22.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.434 ' HB2' HG23 ' A' ' 16' ' ' ILE . 21.6 t -91.94 104.94 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 108.307 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 102' ' ' CYS . 3.2 pp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.3 mtt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.503 0.192 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -167.3 170.38 5.04 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 174.22 13.15 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.508 1.793 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 40' ' ' ARG . 18.0 t-20 -53.65 169.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.427 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 4.9 m-20 -94.37 -47.19 6.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.898 HD11 ' NH1' ' A' ' 26' ' ' ARG . 0.4 OUTLIER -165.22 139.2 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.408 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -101.81 164.63 11.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.389 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.57 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 43.5 m-85 -148.67 136.13 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.603 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 4.5 t80 -39.72 154.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -49.77 -51.38 39.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.575 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 5.0 mtp85 -50.08 -47.58 53.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.512 ' CE1' HD12 ' A' ' 88' ' ' ILE . 10.9 m-85 -62.27 -35.5 79.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.424 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -63.45 -48.24 78.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.297 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.59 -46.69 88.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -34.91 71.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.468 HG12 ' CZ ' ' A' ' 100' ' ' PHE . 30.5 mt -66.88 -45.31 87.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.749 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.52 -25.4 62.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.352 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.88 -3.53 35.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 57.21 37.23 79.35 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 21' ' ' LYS . 14.1 mtt-85 -99.3 100.24 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.421 0.718 . . . . 0.0 110.323 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -37.69 105.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 m -119.8 148.88 42.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.811 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -98.56 154.13 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.866 ' O ' HG13 ' A' ' 97' ' ' VAL . 44.7 p -121.32 174.61 6.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.755 HG13 HG22 ' A' ' 97' ' ' VAL . 4.6 mp -134.44 127.58 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.898 ' NH1' HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -128.02 171.81 11.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.604 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 26.0 t0 -102.76 129.64 49.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -53.99 -39.87 66.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.332 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.3 t -62.04 -15.99 48.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.049 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' SER . 12.7 mm-40 -119.14 11.17 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.61 120.9 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.423 ' CD2' ' N ' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -113.15 -136.56 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.621 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 5' ' ' ASP . 37.2 m-85 -47.34 175.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -131.21 -169.82 2.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.8 m -69.9 148.65 48.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.83 -14.91 61.92 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.609 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -86.99 -170.89 3.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.1 t -107.86 148.08 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -126.2 101.8 6.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.426 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -78.09 126.42 30.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.553 HG12 ' CE1' ' A' ' 8' ' ' PHE . 18.1 m -108.78 162.54 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.443 ' HA2' ' CB ' ' A' ' 50' ' ' PHE . . . -161.92 -87.8 0.07 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.56 1.162 . . . . 0.0 110.987 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 179.27 127.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 110.28 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -24.61 65.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -52.37 -49.42 64.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER 166.92 -29.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 48' ' ' GLY . 0.4 OUTLIER -42.87 -66.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . 55.34 163.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.465 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 58.2 t80 37.18 91.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.443 ' CB ' ' HA2' ' A' ' 42' ' ' GLY . 8.2 t80 -137.88 -51.83 0.62 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 11.0 m -129.19 179.4 5.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 108.334 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -136.07 147.25 47.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.692 HD12 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -144.51 172.65 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -124.6 152.55 43.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -74.98 140.5 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.409 HG22 ' C ' ' A' ' 99' ' ' GLU . 13.8 t -109.52 -46.1 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.415 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.13 168.93 24.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.83 HG23 ' CD1' ' A' ' 98' ' ' ILE . 3.7 m -144.65 147.83 33.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 110.441 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.62 170.06 23.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.496 HG22 ' CD1' ' A' ' 96' ' ' TYR . 0.7 OUTLIER -114.05 108.82 17.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.401 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -155.5 174.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.765 HG22 ' H ' ' A' ' 63' ' ' LEU . 8.8 m -75.72 -152.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.371 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.789 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -100.65 -73.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.432 ' HA ' HG22 ' A' ' 67' ' ' THR . 5.3 t0 -54.9 -11.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.513 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 1.1 p -70.54 -5.89 32.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.579 HD21 HG21 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -174.03 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.936 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -41.68 154.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.75 -23.62 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.936 ' H ' HG23 ' A' ' 67' ' ' THR . 56.7 tttt -49.34 -30.1 7.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -72.0 -55.22 7.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.572 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.74 -38.42 72.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.836 ' OE2' HG11 ' A' ' 84' ' ' VAL . 1.8 tt0 -72.15 -44.53 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.476 ' HG2' ' CD1' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -49.43 -36.13 21.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.17 27.63 4.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.405 ' CG ' ' SD ' ' A' ' 76' ' ' MET . 50.9 t-20 -146.99 -61.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.544 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.5 mpt? -90.65 -179.88 5.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 7.1 t -91.94 -172.03 3.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.442 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.5 OUTLIER -70.73 -37.78 73.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.3 m -56.79 -57.15 13.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -55.57 -44.21 76.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.489 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -57.12 -40.99 78.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.91 -29.42 67.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -53.39 24.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.836 HG11 ' OE2' ' A' ' 72' ' ' GLU . 5.0 m -65.02 -41.01 90.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.917 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.8 mm -60.1 -37.73 74.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.2 -24.17 51.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.603 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -82.37 -27.68 31.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.64 HG23 ' CD2' ' A' ' 89' ' ' TYR . 1.2 tt -86.47 -57.69 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.64 ' CD2' HG23 ' A' ' 88' ' ' ILE . 11.2 p90 168.12 141.64 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 157.68 42.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.95 122.22 4.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.44 1.088 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.789 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -115.73 83.46 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.438 ' CG2' ' C ' ' A' ' 92' ' ' GLN . 20.0 p -150.45 152.65 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 93' ' ' THR . 10.0 mt-30 -37.32 148.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.604 ' CD1' ' HA ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -162.12 -178.86 6.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.496 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -87.79 120.39 29.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.969 ' O ' HD13 ' A' ' 98' ' ' ILE . 81.5 t -100.5 133.06 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.969 HD13 ' O ' ' A' ' 97' ' ' VAL . 4.2 mm -125.92 124.66 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.236 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.811 ' CG ' HG23 ' A' ' 23' ' ' ILE . 10.9 tt0 -95.45 153.04 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.692 ' CD1' HD12 ' A' ' 53' ' ' ILE . 7.3 p90 -147.49 155.96 42.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -138.83 152.31 47.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.9 t -91.62 108.18 19.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.336 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 2' ' ' GLN . 40.7 mtt . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.534 0.207 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.46 ' N ' ' CD ' ' A' ' 2' ' ' GLN . 1.1 pm0 34.95 76.03 0.45 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.68 6.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.461 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 1.1 t30 -96.38 160.41 14.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 4' ' ' ASN . 2.1 m-20 -94.33 -55.24 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.828 HD12 ' NH1' ' A' ' 26' ' ' ARG . 18.7 tt -146.09 141.93 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.1 p -108.54 166.49 10.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.379 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.842 ' HD2' HG23 ' A' ' 41' ' ' VAL . 42.5 m-85 -157.37 124.09 5.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 11' ' ' ARG . 7.0 t80 -38.66 158.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.429 ' OE1' ' N ' ' A' ' 11' ' ' ARG . 1.4 pp0? -51.32 -52.44 45.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.574 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -55.32 -47.79 75.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.417 ' CE1' HG21 ' A' ' 22' ' ' THR . 0.5 OUTLIER -62.23 -36.02 80.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.501 ' OE1' HG22 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -63.84 -47.48 80.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.592 ' HA ' HD23 ' A' ' 17' ' ' LEU . 3.9 t70 -59.16 -46.54 88.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -56.58 -41.61 77.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.63 -43.7 96.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.28 -25.53 61.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -76.64 -1.02 25.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.71 66.67 2.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -130.49 96.11 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.278 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -36.02 104.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.417 HG21 ' CE1' ' A' ' 12' ' ' PHE . 85.8 m -116.26 153.66 31.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.422 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.968 HD13 ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -95.67 160.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.912 ' O ' HG13 ' A' ' 97' ' ' VAL . 29.7 p -142.9 173.98 11.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.987 HG13 HG22 ' A' ' 97' ' ' VAL . 4.5 mp -133.84 141.13 44.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.828 ' NH1' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -136.07 171.75 14.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -100.7 126.8 47.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -51.66 -43.28 62.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.98 -13.71 28.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' SER . 20.7 mt-10 -121.42 14.28 11.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.77 100.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.49 ' NE2' ' NH1' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -80.01 -136.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.608 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.456 ' N ' ' CG ' ' A' ' 32' ' ' HIS . 6.6 m-85 -52.91 -170.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.536 ' O ' HG21 ' A' ' 55' ' ' VAL . 27.3 mmtp -135.01 -170.35 2.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.4 m -73.68 164.55 26.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.52 14.79 43.92 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.631 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -117.84 -172.21 2.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 0.747 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.556 HG13 ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -104.22 150.03 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.578 HD12 HG22 ' A' ' 55' ' ' VAL . 17.6 mt -130.27 113.18 14.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -68.19 117.07 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.842 HG23 ' HD2' ' A' ' 8' ' ' PHE . 2.2 p -96.83 139.0 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 48' ' ' GLY . . . -151.76 -173.35 21.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -114.04 130.84 56.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -27.01 63.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -47.63 56.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 170.31 -36.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.46 -53.56 3.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.415 ' O ' ' CA ' ' A' ' 42' ' ' GLY . . . 69.2 -144.72 41.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.477 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 6.4 t80 -36.54 105.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -110.32 -54.05 2.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 m -148.74 -173.94 4.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.304 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.556 ' CG2' HG13 ' A' ' 38' ' ' VAL . 23.3 m -125.2 150.85 46.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 110.421 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.901 HD12 ' N ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -138.15 171.4 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.901 ' N ' HD12 ' A' ' 53' ' ' ILE . 2.2 mt-10 -120.72 143.2 48.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -76.09 159.79 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.0 t -135.53 -45.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.12 168.43 19.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.89 HG23 HD13 ' A' ' 98' ' ' ILE . 1.9 m -165.18 131.64 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -158.05 169.72 23.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.482 ' C ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -89.44 113.59 24.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.748 ' HB ' HD21 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -156.43 167.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.764 HG23 ' CA ' ' A' ' 94' ' ' GLN . 0.2 OUTLIER -82.08 -161.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.4 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 67' ' ' THR . 0.4 OUTLIER -92.8 -74.43 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 70' ' ' HIS . 3.0 t0 -49.92 -13.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.516 HG23 ' HB ' ' A' ' 62' ' ' THR . 16.1 p -77.11 2.55 14.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.968 ' HB2' HD13 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -174.9 -46.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.872 HG22 ' H ' ' A' ' 69' ' ' LYS . 1.2 m -46.04 148.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.456 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -43.86 -22.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.872 ' H ' HG22 ' A' ' 67' ' ' THR . 2.9 tptm -46.04 -32.62 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 8.7 t60 -65.95 -54.8 21.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.589 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.58 81.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.568 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -60.22 -44.61 95.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.47 ' N ' HD11 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -51.14 -38.43 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -99.36 28.41 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -146.07 -61.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.568 ' N ' ' O ' ' A' ' 72' ' ' GLU . 14.6 mmt -90.42 177.49 6.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 0.9 OUTLIER -90.04 176.92 6.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.348 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.488 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.5 OUTLIER -61.82 -36.88 82.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -56.63 -50.8 70.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.425 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.5 -47.12 87.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.511 HD13 ' HD2' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -56.02 -37.08 68.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -69.32 -37.33 77.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -60.12 -53.08 62.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 81' ' ' LEU . 5.1 m -65.12 -39.03 84.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -60.7 -37.73 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.72 -26.34 54.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.554 ' OD1' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -79.38 -28.32 41.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.615 HG23 ' CG ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -86.94 -57.36 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.615 ' CG ' HG23 ' A' ' 88' ' ' ILE . 7.9 p90 164.85 147.97 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -177.1 3.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.24 120.82 0.72 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 92' ' ' GLN . 3.4 tm0? -102.96 69.25 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.3 p -144.03 148.44 35.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.764 ' CA ' HG23 ' A' ' 62' ' ' THR . 13.9 pt20 -65.86 160.4 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 110.287 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.61 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -164.96 -177.88 4.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.13 133.09 55.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.987 HG22 HG13 ' A' ' 25' ' ' ILE . 50.4 t -114.85 138.26 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.89 HD13 HG23 ' A' ' 58' ' ' THR . 6.9 mm -126.25 111.89 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.505 ' CB ' HG23 ' A' ' 23' ' ' ILE . 7.4 tt0 -96.08 141.7 29.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.782 ' HB2' HD13 ' A' ' 53' ' ' ILE . 1.5 p90 -146.75 173.22 12.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -146.27 155.38 42.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 10.5 t -91.79 125.07 36.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.343 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 mtm . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.479 0.18 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 68.33 146.66 0.11 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 177.75 8.18 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -51.2 173.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.99 -42.8 10.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.753 HD13 ' HE ' ' A' ' 26' ' ' ARG . 1.2 tp -164.02 142.64 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.454 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.2 p -111.33 165.59 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.422 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 41' ' ' VAL . 9.6 m-85 -155.7 130.9 9.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.609 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 6.3 t80 -37.26 157.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -49.86 -51.67 38.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.591 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 4.1 mtt-85 -49.39 -46.11 46.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -31.94 72.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.518 ' OE1' ' CG ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -65.78 -53.15 44.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.697 ' HA ' HD23 ' A' ' 17' ' ' LEU . 8.7 t70 -56.09 -45.5 79.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.5 -45.01 81.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.2 mt -61.77 -45.01 99.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.26 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.697 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.88 -25.65 63.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.82 11.75 14.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 67.54 -115.92 7.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 42.69 94.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 0.774 . . . . 0.0 110.301 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -38.95 134.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -139.18 148.06 42.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.874 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -98.31 152.32 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.931 ' O ' HG13 ' A' ' 97' ' ' VAL . 34.4 p -118.0 172.63 7.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.71 HG13 HG22 ' A' ' 97' ' ' VAL . 4.3 mp -130.71 128.39 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.753 ' HE ' HD13 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -125.24 171.82 10.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -109.8 129.69 55.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 31' ' ' SER . 14.9 tp10 -54.31 -35.09 62.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 t -62.88 -12.7 26.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 31' ' ' SER . 10.1 mm-40 -120.38 11.13 11.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.31 131.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.564 ' CE1' ' NH2' ' A' ' 26' ' ' ARG . 0.4 OUTLIER -148.39 -122.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.567 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.467 ' O ' ' O ' ' A' ' 32' ' ' HIS . 4.6 m-30 -44.3 175.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.88 -164.33 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.7 m -74.55 158.77 33.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.86 16.02 80.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.579 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -123.37 -171.55 2.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.559 HG13 HG22 ' A' ' 52' ' ' THR . 1.0 OUTLIER -106.81 147.91 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.42 HD12 HG22 ' A' ' 55' ' ' VAL . 27.0 mt -129.48 106.05 8.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -70.88 134.19 47.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.573 HG12 ' CE1' ' A' ' 8' ' ' PHE . 13.8 m -115.12 140.29 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.76 -141.33 4.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -148.18 137.31 21.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 0.767 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -74.5 -31.64 62.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' C ' ' OD1' ' A' ' 46' ' ' ASP . 1.5 mt-10 -48.57 -48.93 38.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.1 p-10 165.71 -33.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -39.56 -48.64 2.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.71 -153.22 52.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -37.76 112.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.518 ' CG ' ' OE1' ' A' ' 13' ' ' GLN . 1.7 t80 -110.4 -55.25 2.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.2 m -146.18 -175.88 4.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 108.302 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.559 HG22 HG13 ' A' ' 38' ' ' VAL . 2.2 m -128.11 154.23 45.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.392 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.725 HD12 ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -141.13 172.56 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -121.89 145.25 48.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.706 ' CG1' HG22 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -75.38 151.67 6.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 100' ' ' PHE . 5.1 t -125.18 -45.99 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.16 170.2 18.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.806 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.4 m -148.38 149.0 30.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.16 169.05 25.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.514 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -110.81 105.85 14.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.356 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.526 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.97 173.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.735 HG22 ' H ' ' A' ' 63' ' ' LEU . 6.0 m -72.38 -152.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.41 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.735 ' H ' HG22 ' A' ' 62' ' ' THR . 0.6 OUTLIER -102.4 -66.92 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.94 -6.7 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.477 ' OG1' ' HB ' ' A' ' 62' ' ' THR . 1.0 OUTLIER -77.1 -2.45 34.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.034 HD12 ' N ' ' A' ' 67' ' ' THR . 3.4 pp -173.24 -43.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 1.034 ' N ' HD12 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -43.12 149.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.441 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.06 -22.91 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.244 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.908 ' H ' HG23 ' A' ' 67' ' ' THR . 0.4 OUTLIER -49.24 -30.37 7.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -63.95 -52.67 58.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.612 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.17 90.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 76' ' ' MET . 15.7 tt0 -64.0 -44.68 91.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.614 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -53.63 -38.35 63.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.628 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 5.5 tt0 -92.46 20.96 5.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -135.68 -59.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.511 ' HB2' ' CD2' ' A' ' 81' ' ' LEU . 25.9 mmt -91.14 177.23 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.476 ' O ' HD23 ' A' ' 81' ' ' LEU . 8.3 t -83.49 -179.15 7.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.35 -36.66 74.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.14 -53.95 52.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.404 ' H ' HG23 ' A' ' 77' ' ' THR . 1.4 mt-10 -58.63 -48.86 79.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.614 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.3 OUTLIER -51.28 -48.56 62.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -32.54 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -52.66 62.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.623 HG23 ' CE ' ' A' ' 69' ' ' LYS . 20.2 m -65.36 -38.45 82.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 81' ' ' LEU . 3.8 mt -56.94 -37.99 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.18 -34.86 63.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.609 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -71.97 -27.68 62.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.661 HG23 ' CG ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -91.95 -57.56 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.661 ' CG ' HG23 ' A' ' 88' ' ' ILE . 1.8 p90 161.45 162.47 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.488 ' O ' ' C ' ' A' ' 91' ' ' GLY . 18.3 Cg_endo -75.02 -92.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 90' ' ' PRO . . . 30.4 88.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.635 ' O ' ' CG ' ' A' ' 92' ' ' GLN . 4.5 tt0 -101.52 44.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.51 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 34.6 p -151.47 151.83 32.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.44 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 93' ' ' THR . 13.6 mt-30 -36.81 146.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.526 ' O ' ' O ' ' A' ' 61' ' ' VAL . 8.4 m-85 -158.94 -178.83 7.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.423 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -75.41 144.26 42.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 111.061 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.931 HG13 ' O ' ' A' ' 24' ' ' THR . 74.2 t -130.95 132.06 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.806 HG23 ' OG1' ' A' ' 58' ' ' THR . 4.0 mm -124.25 126.18 71.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.874 ' CG ' HG23 ' A' ' 23' ' ' ILE . 11.2 tt0 -95.48 157.07 16.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.725 ' CD1' HD12 ' A' ' 53' ' ' ILE . 9.7 p90 -146.83 167.48 23.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.41 139.11 40.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.9 t -92.68 123.99 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.325 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.51 0.195 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 178.6 65.64 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.82 13.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.515 1.797 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.448 ' CG ' ' N ' ' A' ' 5' ' ' ASP . 1.9 t30 -93.68 159.15 15.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.609 ' CG ' ' CE2' ' A' ' 33' ' ' PHE . 5.4 m-20 -90.84 -54.04 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.527 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 2.2 tt -160.54 143.52 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.404 ' C ' ' CG ' ' A' ' 8' ' ' PHE . 1.8 p -106.07 173.23 6.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.527 ' CZ ' HG12 ' A' ' 6' ' ' ILE . 33.2 m-85 -154.78 131.86 10.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.606 ' CE1' ' OD1' ' A' ' 87' ' ' ASP . 4.5 t80 -40.11 162.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.32 -46.41 88.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.583 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 3.5 mtt-85 -57.07 -38.3 73.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.687 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 3.8 m-85 -63.55 -40.25 96.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -53.46 46.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.574 ' HA ' HD23 ' A' ' 17' ' ' LEU . 8.9 t70 -58.39 -44.29 88.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -45.68 74.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 20' ' ' ARG . 37.9 mt -58.86 -44.02 89.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.93 -33.65 70.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.67 17.37 22.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 20' ' ' ARG . . . -143.68 -78.92 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.533 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.9 tpm_? 86.71 26.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.47 100.26 0.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.622 ' O ' ' CE1' ' A' ' 100' ' ' PHE . 1.8 m -154.32 156.37 36.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.009 HD13 ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -103.24 158.53 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.875 ' O ' HG13 ' A' ' 97' ' ' VAL . 21.7 p -127.16 173.35 9.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.872 HG21 ' CE1' ' A' ' 95' ' ' PHE . 4.3 mp -130.64 142.27 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.533 ' NH2' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -139.59 171.83 13.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -99.87 128.93 45.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -55.83 -39.61 71.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.67 -13.73 25.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -120.06 9.15 11.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.17 111.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.48 ' NE2' ' NH2' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -110.78 -129.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.611 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.609 ' CE2' ' CG ' ' A' ' 5' ' ' ASP . 42.2 m-85 -43.13 168.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.489 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -128.0 -164.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.439 ' HA ' ' HB ' ' A' ' 55' ' ' VAL . 17.2 m -73.44 152.03 40.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 110.37 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.67 -14.34 42.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.451 1.094 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.701 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -87.08 -171.06 3.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 0.73 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.675 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -108.23 151.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.533 HD22 ' NH2' ' A' ' 26' ' ' ARG . 18.0 mt -128.49 112.54 14.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.39 109.05 5.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.4 t -82.67 140.01 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -156.29 147.18 15.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.47 127.74 33.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 0.728 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -26.79 68.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -45.43 -48.04 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 165.75 -33.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.28 -57.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.1 156.93 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.148 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.546 ' O ' ' CG ' ' A' ' 49' ' ' TYR . 11.1 t80 37.12 81.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 111.005 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -97.6 -45.62 6.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -158.13 -174.03 4.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.675 HG22 HG13 ' A' ' 38' ' ' VAL . 3.0 m -125.91 142.44 51.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.851 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -134.52 171.92 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.745 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.6 mt-10 -116.23 143.44 45.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -72.06 145.81 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.453 ' CG2' ' HB3' ' A' ' 99' ' ' GLU . 9.9 t -114.14 -47.07 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.433 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.46 169.26 22.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.805 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.4 m -155.93 139.37 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.81 164.79 35.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.66 HG22 ' CD1' ' A' ' 96' ' ' TYR . 1.2 p -93.81 120.99 34.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.382 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.545 HG22 ' C ' ' A' ' 60' ' ' THR . 0.0 OUTLIER -159.67 174.22 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.505 HG22 ' H ' ' A' ' 63' ' ' LEU . 1.7 m -77.59 -155.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.438 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' A' ' 67' ' ' THR . 1.0 OUTLIER -98.5 -66.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.461 ' HA ' HG22 ' A' ' 67' ' ' THR . 4.1 t0 -61.01 -8.59 3.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.48 HG23 ' HB ' ' A' ' 62' ' ' THR . 1.4 p -74.48 -3.04 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.009 ' HB2' HD13 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -171.91 -42.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.938 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -42.87 154.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -48.91 -23.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.938 ' H ' HG23 ' A' ' 67' ' ' THR . 52.8 tttt -48.55 -29.91 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -70.68 -56.07 7.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.598 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.64 -50.35 74.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.648 ' OE1' HG11 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -61.57 -43.07 99.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.254 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.563 ' CA ' HD11 ' A' ' 81' ' ' LEU . 8.1 tt0 -50.56 -38.75 46.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -101.05 31.4 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -148.11 -59.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.545 ' N ' ' O ' ' A' ' 72' ' ' GLU . 12.8 mmt -90.49 178.01 6.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 6.0 t -84.66 -173.86 4.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.424 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.461 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.1 OUTLIER -70.81 -41.69 71.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.4 m -57.54 -46.68 83.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.523 ' O ' HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -59.57 -40.84 88.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.563 HD11 ' CA ' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -61.71 -38.42 87.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -71.42 -29.58 65.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -53.33 16.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.648 HG11 ' OE1' ' A' ' 72' ' ' GLU . 4.6 m -64.75 -39.82 86.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.872 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.7 mm -62.52 -38.73 82.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.75 -20.91 52.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.606 ' OD1' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -85.87 -28.46 24.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.687 ' CD1' ' CZ ' ' A' ' 12' ' ' PHE . 2.3 tt -84.33 -58.07 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.652 ' CD2' HG23 ' A' ' 88' ' ' ILE . 16.3 p90 172.07 135.39 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.3 Cg_endo -75.01 161.01 39.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.553 1.818 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.82 122.77 5.03 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -107.79 80.94 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 0.794 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.662 ' O ' ' CE2' ' A' ' 95' ' ' PHE . 22.9 p -144.62 153.56 41.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -68.86 147.65 51.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.329 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.872 ' CE1' HG21 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -162.78 -178.65 6.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.66 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.8 OUTLIER -65.93 149.84 49.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.875 HG13 ' O ' ' A' ' 24' ' ' THR . 78.2 t -132.2 123.62 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.805 HG23 ' OG1' ' A' ' 58' ' ' THR . 2.8 mm -112.05 128.33 68.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.846 ' CB ' HG23 ' A' ' 23' ' ' ILE . 13.9 tt0 -98.04 152.54 19.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.709 ' HB2' HD13 ' A' ' 53' ' ' ILE . 20.3 p90 -138.29 152.21 48.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -155.27 145.94 22.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.466 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 6.5 t -92.72 128.39 38.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.322 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mmt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.457 0.17 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.519 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.5 OUTLIER -81.64 -50.77 0.88 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 110.334 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 2' ' ' GLN . 18.3 Cg_endo -75.01 176.78 9.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.79 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.41 ' ND2' ' HB3' ' A' ' 40' ' ' ARG . 2.4 t-20 -92.56 177.12 6.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -107.23 -42.93 4.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.555 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -164.95 138.53 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.493 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 5.0 p -100.73 176.89 5.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.632 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 59.8 m-85 -159.33 128.56 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.789 ' CZ ' ' CD2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -36.64 154.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 110.984 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -49.59 -47.42 49.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -48.92 -32.77 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.789 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -75.42 -32.58 60.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -42.77 89.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.642 ' HA ' HD23 ' A' ' 17' ' ' LEU . 1.1 t70 -69.74 -52.48 25.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.587 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -55.22 -47.84 74.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.6 mt -55.92 -46.2 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.642 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -57.62 -24.55 57.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -75.97 -2.29 29.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 56.75 62.61 6.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 21' ' ' LYS . 15.3 mtt180 -127.34 97.21 4.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -36.15 106.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.455 HG21 ' CE1' ' A' ' 12' ' ' PHE . 24.5 m -118.19 151.74 37.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.45 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.904 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -95.95 158.1 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.742 ' O ' HG13 ' A' ' 97' ' ' VAL . 31.1 p -130.62 162.81 28.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.405 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.819 HG21 ' CE1' ' A' ' 95' ' ' PHE . 4.3 mp -121.74 141.42 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.531 ' NH1' ' CD1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -143.24 171.35 14.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 29' ' ' SER . 16.0 t0 -101.36 134.21 44.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 5.9 tp10 -48.55 -52.84 20.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.439 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 78.9 p -57.24 -17.53 12.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -129.73 32.91 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -54.41 -170.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.427 ' N ' ' OG ' ' A' ' 31' ' ' SER . 26.0 p-80 -113.61 -146.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.624 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -94.61 -67.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.033 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -177.61 -165.05 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.2 m -96.6 154.43 17.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.419 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.26 -14.39 45.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -79.46 -174.18 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.508 HG13 ' CG2' ' A' ' 52' ' ' THR . 1.1 t -105.52 141.53 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.814 HD12 HG22 ' A' ' 55' ' ' VAL . 14.8 mt -123.75 103.93 8.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.41 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -57.03 117.18 3.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.342 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.54 HG23 ' CD1' ' A' ' 8' ' ' PHE . 6.0 p -95.75 143.62 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 48' ' ' GLY . . . -143.01 -131.89 2.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -149.16 127.99 12.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 110.261 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -69.56 -30.25 68.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -48.87 54.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.5 OUTLIER 164.63 -32.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' ASP . 1.1 t0 -40.11 -55.22 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.522 ' O ' ' CA ' ' A' ' 42' ' ' GLY . . . 81.86 -148.9 27.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' GLY . 8.8 t80 -34.92 135.88 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -144.68 -49.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.473 ' C ' HG12 ' A' ' 41' ' ' VAL . 56.5 m -150.77 -175.5 5.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 108.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.508 ' CG2' HG13 ' A' ' 38' ' ' VAL . 23.8 m -123.12 140.94 52.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.661 ' CD1' ' CG ' ' A' ' 100' ' ' PHE . 1.2 pt -126.6 171.99 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -127.27 136.34 51.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.814 HG22 HD12 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -68.97 164.58 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.3 t -138.62 -45.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.59 169.08 19.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 1.0 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.8 m -155.68 138.46 15.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -158.25 166.35 32.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.552 ' C ' HG22 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -99.71 119.23 37.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.552 HG22 ' C ' ' A' ' 60' ' ' THR . 0.0 OUTLIER -159.71 175.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.665 ' OG1' HG21 ' A' ' 65' ' ' THR . 0.2 OUTLIER -77.29 -154.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 67' ' ' THR . 1.0 OUTLIER -97.86 -66.58 0.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.415 ' H ' ' HG ' ' A' ' 63' ' ' LEU . 1.8 t0 -61.9 -7.02 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.248 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.665 HG21 ' OG1' ' A' ' 62' ' ' THR . 1.2 p -76.69 -2.64 33.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.572 HD21 HG21 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -172.82 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.953 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.1 t -41.92 153.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.389 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.56 -22.81 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.991 ' HD2' HD11 ' A' ' 85' ' ' ILE . 52.0 tttt -48.72 -31.99 7.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -69.17 -55.81 9.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.579 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.7 68.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -71.77 -44.91 63.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.475 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -50.59 -34.15 24.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.91 29.76 4.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -150.72 -60.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.557 ' N ' ' O ' ' A' ' 72' ' ' GLU . 18.1 mmt -90.21 177.97 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 78' ' ' LEU . 8.6 t -90.2 -167.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.2 OUTLIER -72.11 -39.82 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -55.64 -55.44 32.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 76' ' ' MET . 1.3 mt-10 -56.03 -43.88 78.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.504 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -59.88 -34.83 73.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -30.59 64.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -53.15 30.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 81' ' ' LEU . 11.5 m -59.88 -41.55 86.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.991 HD11 ' HD2' ' A' ' 69' ' ' LYS . 6.7 mm -60.15 -40.37 83.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.64 -23.93 60.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.68 -28.99 27.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.648 ' O ' ' HB3' ' A' ' 89' ' ' TYR . 1.7 tt -83.69 -57.89 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.648 ' HB3' ' O ' ' A' ' 88' ' ' ILE . 10.4 p90 161.92 143.55 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.2 Cg_endo -75.07 148.23 34.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.7 125.15 5.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.29 71.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.636 ' O ' ' CZ ' ' A' ' 95' ' ' PHE . 17.8 p -127.51 152.09 48.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 10.6 tt0 -74.29 152.86 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.819 ' CE1' HG21 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -163.13 -178.09 5.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.14 151.16 46.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.848 ' C ' HD13 ' A' ' 98' ' ' ILE . 64.8 t -136.78 124.6 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.0 HG23 ' OG1' ' A' ' 58' ' ' THR . 1.8 mm -113.85 122.3 67.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.904 ' CG ' HG23 ' A' ' 23' ' ' ILE . 17.5 tt0 -96.36 146.06 25.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.661 ' CG ' ' CD1' ' A' ' 53' ' ' ILE . 3.8 p90 -147.45 165.65 29.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 111.001 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 21' ' ' LYS . 2.1 pttt -139.18 150.96 46.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 7.5 t -91.61 127.15 36.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 108.313 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.417 ' O ' ' CB ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.527 0.203 . . . . 0.0 110.978 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.464 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.8 OUTLIER 166.7 -53.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 2' ' ' GLN . 18.4 Cg_endo -74.95 172.48 16.26 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 4.7 t30 -64.18 160.01 19.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.602 ' CG ' ' CE2' ' A' ' 33' ' ' PHE . 16.1 m-20 -106.27 -45.65 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.578 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 11.2 tt -164.28 150.64 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.581 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 1.3 p -114.04 165.95 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.434 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.581 ' CD1' ' O ' ' A' ' 7' ' ' THR . 48.9 m-85 -156.13 125.34 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.616 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -45.68 172.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.476 ' HB2' ' CG ' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -61.11 -41.45 96.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.413 ' C ' ' OE1' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -49.22 -42.68 41.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.51 ' CD2' ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -65.09 -36.88 85.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 111.001 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.405 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -67.01 -46.32 74.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.436 ' HA ' HD23 ' A' ' 17' ' ' LEU . 13.4 t70 -59.2 -48.84 80.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -59.03 -39.03 80.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.483 ' CG2' ' HB2' ' A' ' 102' ' ' CYS . 30.6 mt -62.29 -45.33 99.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.96 -24.67 62.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.91 14.51 8.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . 69.18 -124.63 16.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 43.03 93.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 110.26 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -37.49 103.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 m -81.11 139.34 35.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.926 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -103.32 148.66 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.713 ' O ' HG13 ' A' ' 97' ' ' VAL . 50.4 p -125.47 172.79 9.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.382 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.594 HG13 HG22 ' A' ' 97' ' ' VAL . 4.4 mp -122.72 140.83 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.612 ' NH2' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -139.65 171.42 14.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -102.32 132.52 48.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.04 -37.47 77.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -8.2 37.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 31' ' ' SER . 2.8 mt-10 -118.6 1.36 11.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -37.15 116.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.424 ' O ' ' O ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -118.73 -128.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.567 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.602 ' CE2' ' CG ' ' A' ' 5' ' ' ASP . 40.9 m-85 -42.89 168.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.436 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -124.14 -169.9 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.435 ' HA ' ' HB ' ' A' ' 55' ' ' VAL . 7.5 m -71.52 151.97 43.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.12 -13.55 49.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.575 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -89.06 -169.5 2.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 0.778 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.498 HG23 ' HG3' ' A' ' 54' ' ' GLU . 1.2 t -107.88 146.56 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.612 HD22 ' NH2' ' A' ' 26' ' ' ARG . 14.7 mt -122.9 113.34 18.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 134.54 53.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.51 HG12 ' N ' ' A' ' 42' ' ' GLY . 63.4 t -128.13 165.94 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.51 ' N ' HG12 ' A' ' 41' ' ' VAL . . . 176.15 93.84 0.09 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -69.03 136.54 52.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -70.69 -31.52 68.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.489 ' OE2' ' CE1' ' A' ' 9' ' ' PHE . 6.8 mp0 -45.3 -43.15 10.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.05 -36.19 15.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 171.77 -52.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . 139.17 -136.01 7.67 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 4' ' ' ASN . 14.5 m-30 -37.57 97.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 0.754 . . . . 0.0 111.056 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.458 ' C ' ' SG ' ' A' ' 51' ' ' CYS . 2.7 t80 -176.59 34.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.458 ' SG ' ' C ' ' A' ' 50' ' ' PHE . 2.7 m -150.54 168.68 23.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 108.3 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.4 m -151.22 144.55 24.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.958 HD12 ' N ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -144.07 170.27 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.958 ' N ' HD12 ' A' ' 53' ' ' ILE . 4.6 tt0 -125.7 132.65 52.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -60.51 161.97 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.412 ' CG2' ' N ' ' A' ' 57' ' ' ALA . 3.2 t -139.45 -46.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -148.26 169.39 20.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.915 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.3 m -152.18 145.04 24.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.68 168.53 27.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.534 ' C ' HG22 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -102.69 112.19 24.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.39 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.534 HG22 ' C ' ' A' ' 60' ' ' THR . 0.0 OUTLIER -158.74 175.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.759 HG22 ' H ' ' A' ' 63' ' ' LEU . 6.7 m -84.12 -154.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.866 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.6 OUTLIER -96.84 -71.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -56.23 -9.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.467 ' CG2' ' HB ' ' A' ' 62' ' ' THR . 3.6 p -78.3 1.36 22.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.423 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.798 HD21 HG21 ' A' ' 97' ' ' VAL . 2.5 pp -177.56 -41.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.946 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.0 OUTLIER -42.97 152.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' OE1' ' C ' ' A' ' 11' ' ' ARG . 1.1 mt-10 -49.64 -23.48 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.946 ' H ' HG23 ' A' ' 67' ' ' THR . 22.0 tttt -48.88 -29.56 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -72.39 -54.59 8.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.591 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.84 -38.75 73.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 76' ' ' MET . 2.8 tt0 -72.03 -43.66 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.578 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -49.07 -36.5 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.9 25.63 4.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.1 t-20 -145.5 -63.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.53 ' N ' ' O ' ' A' ' 72' ' ' GLU . 17.2 mmt -90.61 178.1 6.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.582 HG23 ' HB ' ' A' ' 79' ' ' THR . 2.0 t -96.86 173.43 7.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.359 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.406 ' N ' ' OG1' ' A' ' 77' ' ' THR . 2.0 mp -55.02 -34.48 63.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.582 ' HB ' HG23 ' A' ' 77' ' ' THR . 1.2 m -56.46 -57.6 11.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -45.4 93.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.578 HD11 ' N ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -53.79 -41.26 67.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -34.52 72.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.79 -54.13 43.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.498 ' O ' ' CG1' ' A' ' 88' ' ' ILE . 13.9 m -63.94 -49.22 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.845 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.8 mm -52.19 -41.39 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.58 -23.62 59.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.616 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -80.98 -29.06 35.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.892 HG22 ' CE2' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -90.4 -63.18 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.892 ' CE2' HG22 ' A' ' 88' ' ' ILE . 6.7 p90 171.44 143.34 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.2 Cg_endo -75.02 -167.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.28 114.86 0.19 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.866 ' HA ' HD21 ' A' ' 63' ' ' LEU . 1.5 tm0? -115.4 68.64 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.44 ' C ' HG23 ' A' ' 62' ' ' THR . 21.1 p -143.36 151.88 40.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 110.368 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -41.92 142.94 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.524 ' O ' ' O ' ' A' ' 61' ' ' VAL . 1.7 m-85 -161.17 -177.36 6.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.65 133.01 37.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.938 ' O ' HD13 ' A' ' 98' ' ' ILE . 55.2 t -116.28 138.23 47.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.938 HD13 ' O ' ' A' ' 97' ' ' VAL . 4.4 mm -128.83 118.67 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.926 ' CG ' HG23 ' A' ' 23' ' ' ILE . 6.9 tt0 -95.12 140.97 29.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.6 ' HB2' HD13 ' A' ' 53' ' ' ILE . 4.9 p90 -148.91 169.27 20.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.425 ' HE2' ' N ' ' A' ' 21' ' ' LYS . 17.2 mttt -127.9 155.16 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.483 ' HB2' ' CG2' ' A' ' 16' ' ' ILE . 4.0 t -79.18 104.82 10.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 108.248 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 mtm . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.54 0.21 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -159.76 109.7 1.46 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.76 17.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -62.99 166.75 5.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.367 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -107.99 -41.03 5.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.547 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -164.41 140.13 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.431 ' C ' ' CD1' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -102.13 160.51 14.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.723 ' CD1' HG23 ' A' ' 41' ' ' VAL . 18.6 m-85 -144.61 120.5 10.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.615 ' CE1' ' CG ' ' A' ' 87' ' ' ASP . 7.8 t80 -40.8 158.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.424 ' HB2' ' CG ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -49.82 -54.45 19.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.586 ' HG3' ' CE2' ' A' ' 9' ' ' PHE . 11.6 mtp-105 -51.55 -48.98 62.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.683 ' CE1' ' CD1' ' A' ' 88' ' ' ILE . 7.4 m-85 -63.83 -33.7 76.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.049 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.421 ' HB3' HH21 ' A' ' 43' ' ' ARG . 0.0 OUTLIER -67.24 -46.9 72.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.76 ' HA ' HD23 ' A' ' 17' ' ' LEU . 3.4 t0 -58.6 -49.64 76.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.547 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -54.63 -49.09 71.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.0 mt -58.51 -42.1 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.76 HD23 ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -58.3 -24.06 58.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -75.44 -2.11 27.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 56.61 38.56 82.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -102.9 101.13 11.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 110.331 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -36.61 104.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.428 HG21 ' OE1' ' A' ' 68' ' ' GLU . 72.3 m -124.41 155.51 38.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.88 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -99.86 154.7 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.779 ' O ' HG13 ' A' ' 97' ' ' VAL . 81.2 p -138.08 174.27 10.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.802 HG13 HG22 ' A' ' 97' ' ' VAL . 3.5 mp -124.47 141.16 45.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.531 ' CZ ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -135.49 171.46 14.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.574 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 19.1 t0 -100.03 131.25 46.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -53.99 -43.85 70.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -60.1 -18.65 48.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.999 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' SER . 19.3 mt-10 -120.43 16.72 12.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.51 155.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -93.92 -142.78 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.617 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.9 -66.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.12 -171.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.418 ' HA ' ' HB ' ' A' ' 55' ' ' VAL . 7.4 m -81.97 153.88 26.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.98 -14.28 44.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.643 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -85.89 -170.08 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.609 HG13 ' CG2' ' A' ' 52' ' ' THR . 0.9 OUTLIER -107.44 153.0 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.861 HD12 HG22 ' A' ' 55' ' ' VAL . 11.6 mt -134.58 108.87 8.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.69 129.7 42.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.794 HG13 ' HB2' ' A' ' 51' ' ' CYS . 7.6 p -111.22 135.83 49.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 43' ' ' ARG . . . -118.46 -134.69 5.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.47 ' N ' ' HA2' ' A' ' 48' ' ' GLY . 1.4 ttt180 174.2 126.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 110.267 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -76.14 -26.52 56.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -41.59 -32.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -133.35 -51.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER 164.4 -21.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.47 ' HA2' ' N ' ' A' ' 43' ' ' ARG . . . 166.29 137.02 2.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.44 1.088 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.521 ' CD2' ' SG ' ' A' ' 51' ' ' CYS . 2.6 t80 -87.78 -15.84 35.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 0.773 . . . . 0.0 111.055 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 66.19 59.9 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.794 ' HB2' HG13 ' A' ' 41' ' ' VAL . 81.1 m -130.62 -173.72 3.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 108.253 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.609 ' CG2' HG13 ' A' ' 38' ' ' VAL . 63.8 m -150.93 155.68 39.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.91 HD12 ' N ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -141.17 168.07 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.91 ' N ' HD12 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -118.65 137.54 53.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.861 HG22 HD12 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -74.84 160.54 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 99' ' ' GLU . 9.7 t -136.96 -44.84 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -149.03 168.58 22.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.947 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.3 m -148.93 151.46 34.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.62 168.95 25.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.515 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -115.83 106.43 13.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.409 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.528 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -156.36 173.28 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.622 HG23 ' C ' ' A' ' 93' ' ' THR . 1.1 m -69.62 -154.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.919 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -100.7 -71.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' HA ' HG22 ' A' ' 67' ' ' THR . 4.0 t0 -56.41 -8.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.484 ' H ' ' C ' ' A' ' 63' ' ' LEU . 2.1 p -74.97 -3.72 33.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.871 HD12 ' N ' ' A' ' 67' ' ' THR . 3.9 pp -175.21 -39.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.892 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.1 t -41.71 151.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -51.94 -23.54 5.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.892 ' H ' HG23 ' A' ' 67' ' ' THR . 2.7 tttm -48.16 -39.62 21.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -52.69 59.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.59 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.11 -43.39 63.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.675 ' HB3' HD21 ' A' ' 81' ' ' LEU . 2.1 tt0 -67.36 -43.72 80.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.496 ' CA ' HD11 ' A' ' 81' ' ' LEU . 2.6 tt0 -49.62 -34.74 18.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.631 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 6.7 tt0 -92.42 20.37 6.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' GLU . 7.1 t-20 -142.56 -62.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.531 ' N ' ' O ' ' A' ' 72' ' ' GLU . 33.6 mmt -90.27 178.31 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.49 HG23 ' H ' ' A' ' 80' ' ' GLU . 1.4 t -87.38 178.82 6.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.488 ' N ' ' OG1' ' A' ' 77' ' ' THR . 0.9 OUTLIER -67.77 -38.3 83.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.1 m -56.55 -56.57 19.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.49 ' H ' HG23 ' A' ' 77' ' ' THR . 3.1 mt-10 -54.38 -45.53 72.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.704 HD22 ' CG ' ' A' ' 69' ' ' LYS . 6.6 mt -60.34 -31.15 70.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -35.66 70.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -53.6 31.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.569 HG12 ' HE2' ' A' ' 9' ' ' PHE . 5.1 m -62.88 -44.27 99.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.854 HD11 ' HD2' ' A' ' 69' ' ' LYS . 2.0 mm -56.05 -41.55 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.28 -26.96 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.615 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -79.54 -27.8 41.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.683 ' CD1' ' CE1' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -88.65 -57.27 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.727 ' OH ' HD13 ' A' ' 25' ' ' ILE . 7.2 p90 164.78 146.57 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 89' ' ' TYR . 18.4 Cg_endo -74.99 -163.66 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.27 115.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.919 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -115.2 52.32 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 110.28 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.622 ' C ' HG23 ' A' ' 62' ' ' THR . 22.3 p -132.51 152.74 51.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.424 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.603 ' N ' HG23 ' A' ' 62' ' ' THR . 7.5 mt-30 -34.32 144.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -161.83 -178.12 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.547 ' O ' HG23 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -76.43 141.85 41.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.093 . . . . 0.0 111.008 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.858 ' O ' HD13 ' A' ' 98' ' ' ILE . 52.9 t -130.23 134.42 62.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.947 HG23 ' OG1' ' A' ' 58' ' ' THR . 3.9 mm -127.75 121.72 57.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.88 ' CG ' HG23 ' A' ' 23' ' ' ILE . 12.0 tt0 -95.27 133.82 38.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.606 ' CE2' HG21 ' A' ' 24' ' ' THR . 23.7 p90 -148.96 169.08 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.423 ' HE2' HD23 ' A' ' 103' ' ' LEU . 19.3 pttm -136.04 157.73 46.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -91.38 125.3 36.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.575 HD11 ' HB2' ' A' ' 54' ' ' GLU . 11.5 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.2 mtt . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.506 0.193 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -135.33 123.28 15.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 175.78 10.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 6' ' ' ILE . 10.2 t-20 -56.78 173.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -115.88 -37.79 3.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.558 HG12 ' CZ ' ' A' ' 8' ' ' PHE . 6.4 tt -154.83 135.71 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -102.94 161.67 13.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.619 ' CD1' HG23 ' A' ' 41' ' ' VAL . 53.0 m-85 -146.17 114.89 6.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.71 ' HE2' HG12 ' A' ' 84' ' ' VAL . 6.9 t80 -48.97 166.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.428 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.5 OUTLIER -53.82 -45.36 70.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.04 -47.74 83.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -39.62 93.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.728 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -64.89 -46.33 82.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 110.255 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -57.54 -46.58 83.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.57 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -55.96 -47.23 78.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' A' ' 13' ' ' GLN . 17.1 mt -56.08 -42.7 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.805 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.97 -24.46 62.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . -75.31 -6.81 51.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . 84.01 -46.24 3.62 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 19' ' ' GLY . 4.3 mtt180 -38.2 100.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.35 156.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 m -152.89 151.13 30.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.406 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.916 HG23 ' CG ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -97.01 154.12 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.887 ' O ' HG13 ' A' ' 97' ' ' VAL . 18.2 p -124.71 173.73 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.642 HG13 HG22 ' A' ' 97' ' ' VAL . 3.8 mp -132.72 135.04 57.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.551 ' NH1' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -136.45 171.0 15.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.253 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' SER . 16.6 t0 -97.89 130.42 44.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 28' ' ' GLU . 4.4 tp10 -47.16 -47.86 23.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.435 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 7.4 p -56.59 -21.12 24.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.4 mt-10 -129.48 27.45 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' ASP . 4.9 t -128.67 96.56 4.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.021 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -149.13 114.51 5.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.583 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -178.19 -156.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.84 165.21 28.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.6 m -85.55 167.27 15.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.02 13.73 60.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.629 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -100.61 -171.66 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.336 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.65 HG13 HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -99.84 149.55 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.791 HD12 HG22 ' A' ' 55' ' ' VAL . 9.3 mt -135.15 112.47 10.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.08 130.82 48.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.812 HG13 ' HB2' ' A' ' 51' ' ' CYS . 3.0 p -115.15 134.57 57.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -152.98 134.43 4.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -91.02 126.52 36.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -73.29 -25.85 60.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.97 -40.37 2.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 5.1 p-10 -112.86 -50.52 2.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER 165.2 -26.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.42 ' HA2' ' N ' ' A' ' 43' ' ' ARG . . . 149.89 135.83 2.5 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.613 ' CD2' ' SG ' ' A' ' 51' ' ' CYS . 1.4 t80 -83.55 -6.23 59.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 55.44 52.84 10.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.812 ' HB2' HG13 ' A' ' 41' ' ' VAL . 97.7 m -114.99 -172.01 2.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.275 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.65 HG22 HG13 ' A' ' 38' ' ' VAL . 8.1 m -151.31 151.33 31.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.84 HD13 ' CD2' ' A' ' 100' ' ' PHE . 1.1 pp -138.7 172.45 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.704 ' N ' HD12 ' A' ' 53' ' ' ILE . 3.1 mt-10 -121.19 137.53 54.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.791 HG22 HD12 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -71.09 156.26 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.404 HG22 ' C ' ' A' ' 99' ' ' GLU . 6.8 t -128.7 -43.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.071 . . . . 0.0 110.363 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 99' ' ' GLU . . . -155.43 169.74 23.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.894 ' OG1' HG23 ' A' ' 98' ' ' ILE . 1.3 m -149.8 150.2 31.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.421 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.39 169.45 24.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.486 ' C ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -112.49 108.75 17.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.508 ' O ' ' O ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -157.16 173.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 94' ' ' GLN . 1.1 m -70.78 -153.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.781 HD21 ' HA ' ' A' ' 92' ' ' GLN . 0.8 OUTLIER -101.54 -71.62 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.497 ' OD1' ' CE ' ' A' ' 69' ' ' LYS . 1.8 t0 -58.49 -8.76 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.364 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.467 HG23 ' HB ' ' A' ' 62' ' ' THR . 1.1 p -71.32 -8.3 52.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.435 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.572 HD13 ' HB ' ' A' ' 23' ' ' ILE . 2.0 pp -170.8 -40.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.922 HG23 ' H ' ' A' ' 69' ' ' LYS . 1.2 t -42.05 154.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.4 -23.73 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.922 ' H ' HG23 ' A' ' 67' ' ' THR . 30.5 tttt -48.14 -30.29 4.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -75.86 -51.23 12.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.607 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.13 -52.6 62.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.651 ' HB3' HD21 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -64.17 -41.93 96.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.62 ' CA ' HD11 ' A' ' 81' ' ' LEU . 4.6 tt0 -48.43 -35.68 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.0 26.32 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' GLU . 1.4 m-20 -147.5 -62.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.551 ' N ' ' O ' ' A' ' 72' ' ' GLU . 25.4 mmt -90.48 178.19 6.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.468 HG23 ' H ' ' A' ' 80' ' ' GLU . 8.0 t -85.71 -179.94 6.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.58 -38.19 70.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -55.36 34.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.468 ' H ' HG23 ' A' ' 77' ' ' THR . 1.5 mt-10 -54.15 -47.09 72.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.651 HD21 ' HB3' ' A' ' 72' ' ' GLU . 9.8 mt -58.33 -32.9 68.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.03 -35.08 71.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -54.06 32.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.71 HG12 ' HE2' ' A' ' 9' ' ' PHE . 4.7 m -62.72 -46.5 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.645 HD11 ' HD2' ' A' ' 69' ' ' LYS . 1.9 mm -55.3 -40.29 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.88 -26.18 62.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.618 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -81.16 -28.11 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.697 HG23 ' CG ' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -85.83 -57.54 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.697 ' CG ' HG23 ' A' ' 88' ' ' ILE . 2.9 p90 162.89 153.42 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.24 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.442 1.759 . . . . 0.0 111.039 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.501 ' O ' ' CD2' ' A' ' 63' ' ' LEU . . . 84.93 111.92 0.68 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.552 1.158 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.781 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -116.12 40.08 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.537 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 23.6 p -135.98 152.4 50.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.524 ' N ' HG23 ' A' ' 62' ' ' THR . 5.3 mt-30 -33.75 145.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' A' ' 93' ' ' THR . 8.4 m-85 -161.5 -178.14 6.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.61 134.08 36.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.887 HG13 ' O ' ' A' ' 24' ' ' THR . 74.7 t -119.14 130.3 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.894 HG23 ' OG1' ' A' ' 58' ' ' THR . 3.8 mm -120.4 123.43 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.916 ' CG ' HG23 ' A' ' 23' ' ' ILE . 11.3 tt0 -97.13 144.34 27.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.84 ' CD2' HD13 ' A' ' 53' ' ' ILE . 9.0 p90 -148.77 172.08 15.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.426 ' HE2' HD23 ' A' ' 103' ' ' LEU . 10.3 pttm -147.2 150.25 34.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.2 t -92.85 126.15 37.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.426 HD23 ' HE2' ' A' ' 101' ' ' LYS . 7.2 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 stop_ save_