data_1ywl_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 1ywl _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 ' 3' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 1.8 m120 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 1.8 tttt 163.19 83.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt 45.19 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 p 61.73 131.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -82.8 99.49 9.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -78.6 121.02 24.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.546 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 59.3 t80 -102.34 113.17 26.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -122.45 132.75 54.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.9 t -114.05 113.44 43.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.44 HD22 ' CE ' ' A' ' 53' ' ' MET . 13.2 mt -91.13 154.43 19.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 14' ' ' CYS . 1.8 tp -142.29 127.1 18.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.102 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.411 ' N ' HD12 ' A' ' 13' ' ' LEU . 20.7 p -109.52 -178.48 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 108.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -8.5 52.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -100.58 18.76 18.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 46.69 65.15 2.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -118.82 102.85 9.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 0.774 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -85.23 101.61 12.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.01 93.53 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.12 115.67 5.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.86 147.91 19.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.422 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 36.8 p90 -118.42 117.18 28.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.764 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -167.31 179.99 4.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.5 p -111.6 137.38 49.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.473 ' CG ' ' HA ' ' A' ' 3' ' ' ASN . 11.0 mt-10 67.59 63.73 0.71 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 26' ' ' GLU . 18.4 Cg_endo -75.01 -24.43 12.81 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.02 -42.66 85.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.41 -40.06 30.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -66.73 -31.15 71.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tp -72.01 -71.84 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -40.24 -41.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -52.57 -58.11 7.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -50.05 -57.97 6.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.566 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -49.98 -56.53 10.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.94 41.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.043 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 146.17 32.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.77 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.7 m -122.97 115.77 46.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.457 HD11 ' CG2' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -116.71 151.12 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.44 ' CE ' HD22 ' A' ' 12' ' ' LEU . 1.4 ttm -116.75 118.99 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.571 ' CD1' ' CD2' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -113.27 -12.6 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.571 ' CD2' ' CD1' ' A' ' 54' ' ' ILE . 92.9 m-70 -125.82 137.18 53.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.572 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 p -152.84 105.26 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -160.88 151.26 17.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.79 164.29 19.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 9' ' ' PHE . 5.4 m-85 -122.61 139.73 53.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -89.27 -48.45 7.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.5 p -97.73 169.23 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.473 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.52 -41.24 18.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -43.66 -65.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' ALA . 60.8 mt-10 -54.45 -36.35 63.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -63.81 -69.8 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.1 t -48.45 -24.37 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.422 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -84.83 -37.5 20.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 64' ' ' GLU . . . -63.6 -33.35 75.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.86 -38.96 27.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.96 -62.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.26 80.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.573 ' CE2' ' NZ ' ' A' ' 80' ' ' LYS . 2.0 t80 -65.15 -9.81 25.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.59 -26.42 21.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -49.89 5.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.405 HD21 ' CB ' ' A' ' 79' ' ' GLN . 32.9 mt -54.6 165.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.507 ' O ' ' CD ' ' A' ' 80' ' ' LYS . 8.0 t -118.41 -172.05 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.455 ' N ' ' OG1' ' A' ' 76' ' ' THR . 4.9 ptt85 -59.06 -13.34 6.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.85 -75.02 0.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 83' ' ' TYR . 4.6 mt-30 -40.78 -38.63 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.573 ' NZ ' ' CE2' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -63.53 -51.63 64.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -48.04 -55.98 8.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -51.06 47.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 79' ' ' GLN . 1.8 t80 -37.32 -39.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.571 HD13 ' CE1' ' A' ' 55' ' ' HIS . 4.6 mp -89.9 -47.46 7.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -48.61 39.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.7 t -50.69 -31.25 15.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.372 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -89.56 -38.92 13.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -60.1 -48.46 81.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.623 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.1 mt -43.54 -62.21 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.411 ' ND2' ' N ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -113.03 136.04 53.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.0 OUTLIER 56.48 167.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.3 m 80.17 -150.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 109.965 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -140.98 120.56 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.518 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -119.74 127.07 52.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.413 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 9.7 t80 -84.18 115.75 22.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.564 ' CE1' ' HA3' ' A' ' 22' ' ' GLY . 40.3 p90 -120.72 115.74 23.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.629 1.206 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.471 ' HB ' ' CB ' ' A' ' 55' ' ' HIS . 2.7 t -93.19 155.49 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.401 ' CD2' ' CD2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -149.79 121.34 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.7 144.18 25.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.02 170.64 7.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 108.328 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -52.49 -49.9 63.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.67 -25.95 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.37 33.77 5.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 m -81.8 176.3 9.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 0.0 110.014 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.501 ' CE2' HD13 ' A' ' 54' ' ' ILE . 32.7 m-85 -142.96 106.71 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -119.11 129.7 55.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.96 130.85 8.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.382 1.051 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.564 ' HA3' ' CE1' ' A' ' 10' ' ' TYR . . . -114.51 160.47 13.17 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.52 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 18.1 p90 -110.51 96.0 5.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -166.94 171.48 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.409 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.2 p -122.54 130.63 53.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.368 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 73.97 68.05 0.27 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -12.43 21.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.44 -58.74 6.52 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 4.1 ptm180 -66.56 -34.3 77.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 51.0 ttt180 -65.53 -45.66 82.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 tp -53.32 -64.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 33' ' ' GLU . 3.4 t -51.63 -36.84 47.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.4 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.41 ' N ' HG22 ' A' ' 32' ' ' THR . 1.3 mt-10 -51.87 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -44.48 -45.67 9.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.649 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -47.96 -62.97 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.22 -56.78 7.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.557 1.16 . . . . 0.0 111.045 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 168.15 25.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.56 1.821 . . . . 0.0 111.039 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.7 m -141.78 110.49 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 pt -108.91 133.2 54.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.7 134.0 37.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 111.051 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.501 HD13 ' CE2' ' A' ' 19' ' ' PHE . 1.4 pp -152.65 41.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.471 ' CB ' ' HB ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER 174.16 101.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.641 1.213 . . . . 0.0 109.594 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.7 p -121.26 126.36 49.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -138.16 158.88 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -126.86 143.89 51.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.468 ' CE1' ' HB1' ' A' ' 68' ' ' ALA . 17.6 m-85 -136.82 99.29 3.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -68.44 -29.52 68.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 p -123.94 159.35 29.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.2 ptt-85 -70.39 -26.68 63.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 m -57.58 -57.28 13.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 109.968 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -60.35 -46.14 90.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.605 1.191 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -43.11 -65.52 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.0 t -58.86 -28.4 66.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -66.77 -59.18 3.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.468 ' HB1' ' CE1' ' A' ' 59' ' ' PHE . . . -57.31 -30.85 65.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -57.27 5.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.99 -45.63 31.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.51 -56.14 13.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.53 ' CD2' ' HE2' ' A' ' 80' ' ' LYS . 3.6 t80 -50.55 -51.26 49.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -57.57 -23.54 51.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.23 -34.4 23.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.402 HD23 ' CB ' ' A' ' 79' ' ' GLN . 80.0 mt -69.6 153.89 42.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 9.8 t -116.69 -165.53 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 110.401 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.449 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.0 OUTLIER -63.25 -12.1 26.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.581 1.176 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -90.94 -74.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.214 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.402 ' CB ' HD23 ' A' ' 75' ' ' LEU . 9.1 mp0 -39.98 -50.25 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.53 ' HE2' ' CD2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -54.23 -54.47 39.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -52.34 -26.45 12.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -46.23 71.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -58.21 -39.41 78.95 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 54' ' ' ILE . 3.5 mm? -58.43 -50.51 73.44 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 88' ' ' HIS . 0.1 OUTLIER -61.04 -62.94 1.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.6 p -38.86 -33.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -83.75 -44.22 14.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' LYS . 7.7 t60 -56.55 -42.45 78.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.549 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 86.2 mt -51.29 -66.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.367 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.292 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.472 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 0.4 OUTLIER 85.51 178.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' LYS . 14.6 mttt -52.1 -176.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.422 1.076 . . . . 0.0 109.225 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 p 66.51 138.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -84.15 125.78 32.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.571 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.502 ' CE1' ' HB3' ' A' ' 58' ' ' LYS . 11.7 m-85 -108.43 129.65 55.26 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.448 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 2.8 t80 -110.8 118.58 36.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.945 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.489 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 54.4 p90 -114.72 126.1 54.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.2 t -106.45 91.48 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.228 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.492 ' C ' ' CD2' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -93.77 143.32 26.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.77 140.65 41.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.5 m -92.87 161.26 14.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.385 1.053 . . . . 0.0 108.311 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.94 -57.23 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.43 -42.19 61.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.09 42.64 0.51 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.28 116.58 29.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 0.78 . . . . 0.0 109.913 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.558 ' CE1' ' HG3' ' A' ' 77' ' ' ARG . 12.5 m-85 -85.81 102.43 13.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -113.9 128.44 56.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.448 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . -116.59 136.46 12.82 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.61 123.59 3.58 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.594 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 44.7 p90 -106.87 104.01 13.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -167.39 -179.88 4.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 p -104.17 135.44 45.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.487 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 3' ' ' ASN . 35.1 mt-10 58.92 63.99 3.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.405 1.065 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 26' ' ' GLU . 18.3 Cg_endo -75.0 -29.89 7.75 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.451 1.764 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -46.41 -49.86 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -74.41 -51.5 14.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -48.69 -46.59 40.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.236 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -60.29 4.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.1 m -44.36 -55.1 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.607 1.192 . . . . 0.0 110.353 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -42.07 -58.19 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -47.57 -59.44 3.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.584 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.76 -60.66 1.29 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.398 1.061 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 t -45.37 -57.25 4.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.056 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.089 0 O-C-N 124.557 1.16 . . . . 0.0 110.909 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 161.27 38.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.551 1.817 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.6 m -128.4 123.12 59.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 pt -113.89 133.04 61.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.4 mtt -100.57 117.47 34.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.57 7.04 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.61 ' CE1' ' CD1' ' A' ' 84' ' ' LEU . 62.2 m-70 -143.69 150.67 39.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.588 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 55' ' ' HIS . 9.7 p -158.42 98.74 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.357 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -114.5 141.23 47.98 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.459 1.1 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.502 ' HB3' ' CE1' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -138.98 108.91 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.364 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.497 ' CE1' ' HB2' ' A' ' 65' ' ' ALA . 0.6 OUTLIER -133.8 150.25 51.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.943 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -103.72 -12.19 17.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.0 p -99.32 137.94 37.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.589 1.181 . . . . 0.0 110.351 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -75.33 -47.23 28.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.225 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 m -42.1 -42.45 2.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -54.43 8.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.497 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . . . -41.97 -56.5 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 67' ' ' LYS . 7.7 t -58.43 -40.69 83.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.411 ' N ' HG22 ' A' ' 66' ' ' THR . 0.0 OUTLIER -58.16 -47.28 83.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.12 -37.59 64.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -52.24 26.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.608 1.193 . . . . 0.0 110.265 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.55 -65.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.56 -51.86 44.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.84 -52.18 11.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.48 -29.77 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -91.72 -43.14 9.75 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.395 1.059 . . . . 0.0 109.288 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.47 HD12 ' CG ' ' A' ' 83' ' ' TYR . 65.7 mt -58.39 163.23 3.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.481 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 3.6 t -133.26 -176.36 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.354 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.558 ' HG3' ' CE1' ' A' ' 19' ' ' PHE . 35.4 ttm180 -49.93 -19.52 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -98.47 -74.09 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 109.343 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 78' ' ' LYS . 0.6 OUTLIER -33.75 -51.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -52.48 -61.08 2.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.229 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -36.08 -52.52 0.77 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.576 1.172 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -72.94 -61.64 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.47 ' CG ' HD12 ' A' ' 75' ' ' LEU . 22.4 t80 -35.65 -44.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.61 ' CD1' ' CE1' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -82.9 -56.19 3.96 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 8.6 ttpp -43.25 -49.62 6.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.378 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.8 p -43.24 -38.35 2.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 110.46 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -94.71 -44.77 7.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -47.22 -42.74 20.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 0.0 109.59 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.9 mp -61.95 -60.84 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.372 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.496 ' HB2' ' CA ' ' A' ' 25' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -133.55 119.76 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.61 1.194 . . . . 0.0 109.348 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 6' ' ' SER . 11.5 mttt 72.86 152.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.2 p 85.75 -168.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.062 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -135.03 115.26 13.29 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.127 . . . . 0.0 109.634 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.454 ' CE1' ' HB3' ' A' ' 58' ' ' LYS . 1.3 m-85 -103.89 120.75 41.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.448 ' HB3' ' CB ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -82.59 99.12 9.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.482 ' CD1' HG23 ' A' ' 56' ' ' THR . 2.7 m-85 -112.79 101.38 9.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.404 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 1.7 t -87.95 97.05 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.436 HD21 ' CE ' ' A' ' 53' ' ' MET . 0.4 OUTLIER -77.67 154.3 32.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 tt -112.19 149.32 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.6 OUTLIER -114.35 158.39 21.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.586 1.179 . . . . 0.0 108.288 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -38.15 4.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.21 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.4 -39.32 78.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' CYS . . . 112.47 45.48 0.79 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 p -101.51 135.41 43.06 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.465 0.744 . . . . 0.0 109.967 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -90.84 100.73 13.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -89.11 91.66 8.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.071 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.35 106.62 2.03 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.504 1.128 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -114.63 125.05 6.63 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.555 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 23.7 p90 -109.15 94.6 5.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 0.735 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -167.57 179.12 5.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.496 ' CA ' ' HB2' ' A' ' 3' ' ' ASN . 15.7 p -128.17 123.15 33.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' N ' ' HB2' ' A' ' 3' ' ' ASN . 1.9 tm-20 77.95 74.09 0.17 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -4.49 15.48 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.449 1.763 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -62.92 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -34.12 76.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -67.57 -44.11 79.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mt -58.43 -69.27 0.19 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.1 t -41.56 -39.96 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.56 -61.2 1.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -48.56 -56.33 8.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.645 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -46.01 -44.44 15.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.05 -50.11 44.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 67.77 5.8 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.0 m -79.22 102.21 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.361 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -106.91 155.21 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.436 ' CE ' HD21 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -92.27 143.67 26.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.0 pp -148.97 -46.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.552 ' ND1' ' CD1' ' A' ' 84' ' ' LEU . 15.6 m-70 -115.05 121.05 41.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.558 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.482 HG23 ' CD1' ' A' ' 10' ' ' TYR . 6.0 p -126.67 157.88 37.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 9' ' ' PHE . 2.0 tt0 -169.17 159.03 8.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.454 ' HB3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -138.06 155.97 48.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -159.04 117.26 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.049 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.58 -0.99 57.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.333 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -123.9 143.27 50.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.389 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -50.06 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.428 ' O ' ' CG2' ' A' ' 66' ' ' THR . 19.6 m -42.96 -67.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.065 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.99 -51.54 40.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.0 -67.01 0.32 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 63' ' ' SER . 10.2 t -52.7 -30.78 34.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.45 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -48.13 70.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.51 -34.72 50.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.81 -60.87 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.7 -30.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.33 -50.63 8.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.559 ' CD2' ' HE2' ' A' ' 80' ' ' LYS . 20.5 t80 -48.55 -50.63 31.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.09 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.12 -23.98 16.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -92.4 -50.1 5.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.597 1.186 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 79' ' ' GLN . 33.2 mt -52.06 171.17 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 8.6 t -138.17 -171.7 3.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.444 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.5 OUTLIER -57.4 -15.29 6.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.34 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 79' ' ' GLN . 1.2 tttm -95.18 -75.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.466 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -37.05 -61.03 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.182 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.559 ' HE2' ' CD2' ' A' ' 72' ' ' PHE . 36.0 mttt -42.01 -48.32 4.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.521 ' HA ' ' CE1' ' A' ' 55' ' ' HIS . 15.2 tt0 -47.86 -55.76 9.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 85' ' ' LYS . 3.2 mm-40 -71.92 -54.8 8.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 82' ' ' GLN . 2.5 t80 -35.71 -47.39 0.48 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 111.041 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.552 ' CD1' ' ND1' ' A' ' 55' ' ' HIS . 0.4 OUTLIER -75.41 -43.29 50.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' GLN . 0.0 OUTLIER -54.32 -56.8 14.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.5 p -40.65 -28.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.382 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.426 ' N ' ' C ' ' A' ' 85' ' ' LYS . 75.1 t80 -98.44 -62.06 1.29 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 111.011 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -40.06 -44.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.383 1.052 . . . . 0.0 109.6 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.1 mt -40.72 -61.16 0.99 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.472 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 7.2 m-80 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -172.29 130.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 6' ' ' SER . 8.2 pttt -53.14 165.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.466 ' O ' ' CG2' ' A' ' 25' ' ' THR . 0.7 OUTLIER 79.51 -165.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 109.988 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.438 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 2.1 m-70 -117.26 128.74 55.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.601 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.519 ' CZ ' ' HG2' ' A' ' 58' ' ' LYS . 2.6 m-85 -109.05 117.72 34.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -92.94 126.66 38.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 27' ' ' PRO . 15.2 p90 -137.77 174.43 10.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 55' ' ' HIS . 24.9 t -139.66 127.73 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mp -98.8 139.76 33.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.21 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.487 ' C ' ' CD2' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -127.05 134.96 50.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.4 m -106.63 167.1 10.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -51.41 -34.08 33.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.63 -44.18 87.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.379 1.05 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.13 42.86 0.75 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.425 1.078 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.94 118.01 35.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 0.747 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -98.75 122.02 41.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.47 112.45 15.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.595 1.185 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.22 147.61 21.73 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.57 143.8 9.06 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -116.72 109.69 17.48 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.533 0.784 . . . . 0.0 110.978 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -165.93 -179.8 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 6' ' ' SER . 46.9 p -117.76 120.6 38.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 110.309 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 3' ' ' ASN . 1.0 OUTLIER 76.99 72.38 0.2 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 110.233 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 10' ' ' TYR . 18.1 Cg_endo -75.03 -0.73 10.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.502 1.791 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.6 -59.63 2.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 110.36 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 10.9 ptm180 -63.79 -37.24 86.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 1.178 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -69.8 -36.86 76.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 27' ' ' PRO . 12.7 tp -68.6 -64.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 t -45.51 -38.23 6.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.436 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -44.89 -51.21 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -65.71 -49.49 68.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.608 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -56.46 -21.25 24.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 t -109.0 22.45 15.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.175 . . . . 0.0 109.999 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.558 1.161 . . . . 0.0 110.999 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 152.45 41.14 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.444 1.76 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.1 m -136.51 130.25 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.4 161.03 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.392 1.057 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 mtm -101.03 126.04 47.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.466 ' CD1' HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -122.39 -40.04 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.478 ' HB3' ' CG2' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -107.33 120.85 43.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.568 1.168 . . . . 0.0 109.537 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 p -128.84 148.02 50.85 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.441 1.088 . . . . 0.0 110.396 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.485 ' OE2' ' CE1' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -167.71 132.86 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.519 ' HG2' ' CZ ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -113.85 152.15 31.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 109.393 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.659 ' CZ ' ' CB ' ' A' ' 68' ' ' ALA . 48.5 m-85 -149.45 113.31 5.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -71.18 -46.47 61.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.647 1.217 . . . . 0.0 110.297 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.6 p -100.23 161.52 13.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -79.19 -34.22 43.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 m -52.85 -57.07 11.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.96 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.55 -23.69 66.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 110.242 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.46 -69.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.3 t -49.46 -24.4 2.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -75.34 -45.87 36.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.659 ' CB ' ' CZ ' ' A' ' 59' ' ' PHE . . . -66.9 -31.89 72.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -69.88 -49.93 47.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.83 -43.67 63.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.74 -55.58 18.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -54.24 -25.8 25.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -80.79 -16.03 54.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -6.2 28.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.6 mt -90.42 160.36 16.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.513 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 2.1 t -131.59 -176.36 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.429 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.513 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.0 OUTLIER -50.68 -19.3 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -84.37 -75.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -42.84 -38.41 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.262 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.62 -58.54 4.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.402 1.063 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.93 -17.15 21.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.231 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -76.26 -39.47 54.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.394 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -73.11 -25.45 60.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.548 1.155 . . . . 0.0 111.046 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.451 ' CD1' ' HB ' ' A' ' 54' ' ' ILE . 4.5 mm? -70.1 -49.99 45.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -65.61 -58.86 4.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.0 t -50.26 -23.19 2.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 110.427 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.434 ' CB ' ' O ' ' A' ' 83' ' ' TYR . 32.1 t80 -89.75 -35.52 15.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -49.11 46.94 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 0.0 109.585 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.2 mt -47.68 -58.21 4.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 5' ' ' LYS . 1.1 m120 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.76 95.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 3' ' ' ASN . 0.1 OUTLIER -179.87 97.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.73 171.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -97.42 119.34 35.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.478 1.112 . . . . 0.0 109.526 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 58' ' ' LYS . 7.9 m-85 -105.71 103.44 12.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -85.23 110.14 18.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.446 ' CZ ' ' CG2' ' A' ' 56' ' ' THR . 2.2 m-30 -117.71 122.15 42.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.078 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.409 ' HA ' ' CA ' ' A' ' 21' ' ' GLY . 5.2 t -89.97 104.59 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -81.05 150.04 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.409 ' CD1' ' O ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -131.6 113.02 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.409 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 1.6 m -72.08 178.82 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.77 -56.9 4.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 110.389 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.3 -36.76 53.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.25 60.02 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.68 112.43 24.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.975 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -84.88 100.98 11.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.55 101.04 5.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.409 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . . . -116.37 148.15 18.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 111.077 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -158.1 157.64 28.45 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 23' ' ' TYR . 35.7 p90 -104.95 129.36 53.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -167.4 -179.79 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.437 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 p -118.75 129.22 55.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.412 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.419 ' OE1' ' NE ' ' A' ' 29' ' ' ARG . 0.7 OUTLIER 74.94 69.86 0.23 Allowed Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.578 1.173 . . . . 0.0 110.304 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -0.6 10.18 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.436 1.756 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.55 -63.9 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.43 ' O ' ' CG2' ' A' ' 32' ' ' THR . 12.0 ptp180 -61.55 -26.77 68.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 33' ' ' GLU . 2.4 ttp180 -68.53 -62.21 1.49 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.42 -59.0 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.43 ' CG2' ' O ' ' A' ' 29' ' ' ARG . 4.8 t -52.36 -37.8 57.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 30' ' ' ARG . 1.3 tt0 -64.09 -66.04 0.6 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 1.178 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -42.31 -63.57 0.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.656 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -44.73 -58.73 2.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 t -49.92 -56.12 11.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.08 0 O-C-N 124.447 1.092 . . . . 0.0 110.916 179.908 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 . . . . . 0 N--CA 1.451 -0.386 0 CA-C-O 120.605 0.24 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 98.25 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.446 1.761 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.1 m -76.88 136.88 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.4 pt -122.8 151.11 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.13 136.85 32.79 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.474 HD13 ' CD2' ' A' ' 55' ' ' HIS . 0.6 OUTLIER -140.44 -47.14 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 84' ' ' LEU . 88.5 m-70 -107.91 153.17 23.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 55' ' ' HIS . 7.4 p -158.05 107.6 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.433 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.35 139.62 50.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.57 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 1.7 tttt -130.88 119.54 22.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -145.81 119.4 9.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -88.54 -23.72 23.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.363 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.9 p -97.35 140.95 31.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.462 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -38.54 88.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.62 -44.41 47.32 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.597 1.186 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.72 -30.33 40.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.36 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.91 -54.74 19.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 t -59.77 -38.4 81.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -54.18 49.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.21 -42.84 31.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -67.91 -55.08 14.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.83 -50.53 14.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.56 -46.16 89.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.508 ' CG ' ' HE2' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -56.36 -16.73 6.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 111.06 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -81.61 -34.57 30.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.156 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -94.58 24.29 4.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 79' ' ' GLN . 22.2 mt -134.04 168.9 17.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -133.87 178.03 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.499 ' N ' ' OG1' ' A' ' 76' ' ' THR . 15.1 ptt180 -48.51 -19.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -95.92 -73.01 0.61 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.466 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -37.99 -38.46 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.508 ' HE2' ' CG ' ' A' ' 72' ' ' PHE . 16.5 mttt -63.06 -53.68 49.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' LYS . 1.2 tp10 -47.54 -51.26 21.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.065 . . . . 0.0 110.336 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -70.45 -49.07 52.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 83' ' ' TYR . 1.1 t80 -41.83 -51.37 4.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.575 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 5.1 mp -75.23 -26.45 58.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' GLN . 19.3 tttt -57.97 -57.96 10.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -46.34 -34.37 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -80.81 -37.11 30.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -12.49 61.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.599 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.56 -46.93 44.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.219 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.477 ' CB ' ' HG2' ' A' ' 26' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 5' ' ' LYS . 2.1 tptm 67.19 142.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -39.25 115.48 0.5 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER 160.78 126.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -82.34 98.8 9.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.586 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.566 ' CE1' ' HG3' ' A' ' 58' ' ' LYS . 35.4 m-85 -93.21 112.59 24.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -87.38 117.78 26.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -126.93 138.97 53.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.1 t -109.8 138.52 37.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.2 mt -114.31 127.03 55.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -110.68 120.44 42.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 27.5 m -97.68 -159.86 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 108.274 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -95.44 -19.6 19.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.173 . . . . 0.0 110.316 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -100.01 35.58 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 45.19 54.6 7.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.592 1.182 . . . . 0.0 111.041 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.1 m -107.73 100.6 9.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.047 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -88.86 117.11 27.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.3 92.22 3.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.77 128.59 9.55 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.03 144.18 9.81 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 23' ' ' TYR . 51.5 p90 -108.37 126.85 53.33 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.491 0.759 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -167.23 169.99 12.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.408 1.068 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.5 p -98.37 142.06 30.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 3' ' ' ASN . 48.4 mt-10 52.79 72.06 1.27 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.203 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 -35.07 3.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -43.1 -49.56 6.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -70.8 -53.95 13.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.42 -40.67 37.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.36 -58.21 9.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.406 1.067 . . . . 0.0 109.276 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' GLU . 20.2 m -42.61 -57.24 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.409 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -38.74 -56.67 1.31 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 110.348 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.557 ' CD2' ' C ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -46.22 -65.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.463 ' N ' ' CG ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -53.54 -22.0 7.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.069 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -100.19 26.06 6.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.064 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.425 1.078 . . . . 0.0 111.103 -179.908 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.427 ' O ' ' CG ' ' A' ' 49' ' ' ARG . 11.2 ptp180 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 93.48 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.565 1.824 . . . . 0.0 111.009 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.4 m -79.3 114.92 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.2 pt -109.63 147.02 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.242 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -93.1 113.94 26.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.954 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.569 HD12 ' CD2' ' A' ' 55' ' ' HIS . 1.4 pp -120.59 5.31 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.673 ' CE1' ' CD1' ' A' ' 84' ' ' LEU . 64.0 m-70 -141.32 155.45 45.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.584 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 55' ' ' HIS . 13.3 p -157.88 110.9 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.445 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.467 ' HG2' ' CZ ' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -135.37 150.08 49.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.566 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 2.2 ttpp -139.19 124.47 19.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.467 ' CZ ' ' HG2' ' A' ' 57' ' ' GLU . 30.8 m-85 -125.33 131.5 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -111.24 -27.79 8.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.38 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.9 p -93.03 144.52 25.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -36.0 69.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.268 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.5 m -54.39 -48.08 71.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.968 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -69.18 -44.56 71.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.4 -61.98 1.56 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -57.75 -30.82 65.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.471 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -43.73 86.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.405 1.065 . . . . 0.0 109.222 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.93 -38.39 72.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -60.29 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.222 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.26 -43.08 10.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.474 ' HA ' ' CD ' ' A' ' 74' ' ' LYS . . . -66.62 -47.61 72.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.67 -21.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -90.92 -29.46 17.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.474 ' CD ' ' HA ' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -94.79 23.54 5.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.247 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 79' ' ' GLN . 31.2 mt -138.76 168.97 18.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.62 1.2 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 78' ' ' LYS . 3.9 t -145.48 179.7 7.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -38.98 -27.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -96.62 -74.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.618 1.199 . . . . 0.0 109.328 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.471 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.9 OUTLIER -33.58 -37.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 1.099 . . . . 0.0 110.348 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.467 ' HD2' ' CA ' ' A' ' 76' ' ' THR . 0.1 OUTLIER -66.85 -64.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -37.35 -34.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 110.215 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -82.98 -50.75 8.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 83' ' ' TYR . 1.1 t80 -40.03 -35.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.673 ' CD1' ' CE1' ' A' ' 55' ' ' HIS . 3.9 mp -87.99 -38.43 15.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 82' ' ' GLN . 0.4 OUTLIER -55.13 -57.95 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.2 t -46.45 -33.31 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.461 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -83.62 -44.79 14.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -61.19 -45.37 94.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.61 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.0 mt -47.86 -64.43 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.518 ' HB3' ' CB ' ' A' ' 26' ' ' GLU . 1.1 p30 . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.501 ' N ' ' CG ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER 67.53 66.09 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt 67.92 149.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m 77.64 96.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.57 1.169 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -82.51 130.92 35.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.629 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.571 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 10.3 m-85 -108.86 133.36 52.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -103.52 118.81 37.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 111.036 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -120.24 137.35 54.27 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.02 91.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.468 ' CD2' ' HB ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -81.29 144.66 31.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' CD2' HG12 ' A' ' 52' ' ' ILE . 0.9 OUTLIER -113.3 139.12 49.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -94.34 162.49 13.81 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 108.281 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -56.26 -48.55 76.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.372 1.045 . . . . 0.0 110.211 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -28.18 46.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.26 49.2 1.07 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.43 1.082 . . . . 0.0 110.948 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.29 115.48 30.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -86.63 104.66 16.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.998 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -135.38 147.31 49.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.8 170.48 42.37 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.14 163.76 32.1 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.51 ' CG ' ' HB1' ' A' ' 65' ' ' ALA . 19.4 p90 -103.18 134.21 46.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 0.786 . . . . 0.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -167.45 -179.9 4.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.28 130.96 56.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.623 1.202 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.518 ' CB ' ' HB3' ' A' ' 3' ' ' ASN . 0.0 OUTLIER 71.33 68.08 0.36 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -28.09 9.37 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.432 1.753 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.49 -48.53 74.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.587 1.18 . . . . 0.0 110.244 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -49.29 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.209 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -34.59 60.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.169 . . . . 0.0 110.243 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.4 tp -72.72 -61.87 1.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -47.99 -55.03 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.427 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.79 -60.81 1.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.375 1.047 . . . . 0.0 110.325 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -43.45 -56.07 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.601 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.94 -52.38 50.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.89 42.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 110.046 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 146.72 33.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.468 ' HB ' ' CD2' ' A' ' 12' ' ' LEU . 5.1 m -129.18 110.14 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.4 HG12 ' CD2' ' A' ' 13' ' ' LEU . 7.4 pt -108.27 141.12 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.5 mtt -108.24 115.76 30.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.513 ' CD1' ' CD2' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -105.39 -13.64 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.565 ' CE1' HD12 ' A' ' 84' ' ' LEU . 98.4 m-70 -118.94 153.65 34.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 55' ' ' HIS . 5.6 p -159.04 109.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.442 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -128.4 153.21 47.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 8' ' ' TYR . 3.5 mtmt -127.1 128.71 46.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.585 1.178 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -127.08 123.08 36.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -87.79 -12.14 45.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.08 . . . . 0.0 110.299 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 77.1 p -125.92 165.07 19.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 110.425 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -85.37 -44.21 12.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.575 1.172 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 m -43.35 -48.4 6.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.052 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -51.59 64.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.63 1.206 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.51 ' HB1' ' CG ' ' A' ' 23' ' ' TYR . . . -47.41 -59.62 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.4 t -61.37 -38.86 88.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -54.96 -49.87 70.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.56 -44.11 72.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -55.48 -55.84 27.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.24 -62.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.5 -53.04 62.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.52 ' CG ' ' HE2' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -43.64 -51.82 6.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.934 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -48.13 -38.27 17.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.586 1.179 . . . . 0.0 109.356 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -28.14 36.39 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 72' ' ' PHE . 35.7 mt -79.97 152.36 29.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 8.9 t -114.13 -169.06 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.319 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.43 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.4 OUTLIER -61.61 -11.9 13.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 79' ' ' GLN . 8.3 mmtt -100.11 -75.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 83' ' ' TYR . 0.9 OUTLIER -34.77 -42.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.274 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.52 ' HE2' ' CG ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -63.78 -63.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 80' ' ' LYS . 3.5 tp10 -38.29 -53.15 1.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 110.352 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' LYS . 7.7 mm-40 -69.91 -55.85 8.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.493 ' CB ' ' O ' ' A' ' 79' ' ' GLN . 2.9 t80 -35.42 -53.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 55' ' ' HIS . 2.3 mp -68.86 -42.73 76.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.371 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 82' ' ' GLN . 0.2 OUTLIER -50.25 -50.1 51.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 87' ' ' PHE . 0.8 OUTLIER -43.7 -38.1 2.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.42 ' N ' HG21 ' A' ' 86' ' ' THR . 2.5 t80 -85.63 -27.47 25.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LYS . 4.8 t60 -63.82 -36.88 85.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -44.6 -63.29 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.457 ' N ' ' ND2' ' A' ' 3' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -122.7 44.22 2.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.88 145.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.451 ' O ' ' CG2' ' A' ' 25' ' ' THR . 15.9 p 64.94 -157.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -128.47 128.53 44.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 109.589 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 58' ' ' LYS . 9.2 m-85 -119.92 127.17 52.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 111.057 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -86.76 122.04 30.1 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.615 1.197 . . . . 0.0 111.06 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.421 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 8.7 p90 -124.15 149.84 45.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.4 t -110.86 91.3 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.2 mt -76.65 122.21 24.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.98 138.3 46.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.47 -178.93 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 1.06 . . . . 0.0 108.323 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -62.11 -31.31 71.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -61.52 -16.71 50.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.49 32.07 55.55 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 m -100.12 146.61 26.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 110.035 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -99.13 107.43 19.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -95.2 104.43 16.32 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.19 109.03 3.25 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -120.21 162.91 14.09 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.54 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 29.9 p90 -135.37 99.76 4.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.575 0.809 . . . . 0.0 111.019 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.457 ' CG2' ' N ' ' A' ' 25' ' ' THR . 0.5 OUTLIER -166.58 179.93 5.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.457 ' N ' ' CG2' ' A' ' 24' ' ' THR . 28.1 p -135.13 129.36 33.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.404 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 3' ' ' ASN . 0.7 OUTLIER 77.75 71.61 0.19 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -19.81 17.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.444 1.76 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -51.85 -56.53 13.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.586 1.179 . . . . 0.0 110.343 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.465 ' HA ' ' CG2' ' A' ' 32' ' ' THR . 5.9 ptt180 -76.0 -25.12 55.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -70.17 -39.71 75.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.32 -62.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 29' ' ' ARG . 2.4 t -48.57 -33.37 9.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.463 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -44.08 -64.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -77.13 -48.38 17.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.608 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -43.69 -59.08 2.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -51.11 -48.56 61.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.592 1.183 . . . . 0.0 111.024 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 168.81 23.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.3 m -140.5 86.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -104.12 147.67 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.411 ' O ' ' HG2' ' A' ' 53' ' ' MET . 0.0 OUTLIER -120.42 130.74 54.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.499 ' O ' ' CD1' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -119.81 -8.94 11.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.602 ' NE2' ' CG ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -115.5 97.46 6.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.575 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 p -100.49 123.06 44.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 110.432 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.28 148.82 42.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -128.79 155.36 45.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 68' ' ' ALA . 43.7 m-85 -165.48 134.23 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.406 ' CG ' HG23 ' A' ' 61' ' ' THR . 8.7 pt-20 -107.4 -19.2 13.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.546 1.153 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.406 HG23 ' CG ' ' A' ' 60' ' ' GLU . 75.3 p -108.49 145.27 34.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.078 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.0 -43.32 65.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.249 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -51.27 -37.26 46.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.6 1.187 . . . . 0.0 110.027 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -82.63 -47.26 12.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.365 1.041 . . . . 0.0 110.358 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.71 -43.66 72.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.46 1.1 . . . . 0.0 109.233 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 t -71.52 -42.63 67.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.5 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.95 -55.3 36.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.363 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 59' ' ' PHE . . . -49.9 -41.92 46.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -54.44 46.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.36 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.17 -51.51 24.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.99 -53.65 54.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.393 1.058 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.497 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 1.3 t80 -58.42 -16.86 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -86.0 -19.77 29.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.226 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -93.6 -36.08 12.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 79' ' ' GLN . 76.4 mt -61.56 166.44 4.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 7.9 t -136.59 -171.38 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.455 ' N ' ' OG1' ' A' ' 76' ' ' THR . 4.0 ptt180 -53.8 -18.52 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -75.27 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.461 ' HG2' ' CD2' ' A' ' 75' ' ' LEU . 0.7 OUTLIER -42.34 -52.99 4.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 110.204 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -54.13 -49.72 68.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.601 1.188 . . . . 0.0 109.407 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -59.53 -20.71 57.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -71.99 -43.85 64.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.211 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.602 ' CG ' ' NE2' ' A' ' 55' ' ' HIS . 0.8 OUTLIER -64.23 -35.49 80.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.958 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 54' ' ' ILE . 2.0 mm? -60.25 -52.97 63.04 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.91 -65.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -39.65 -33.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.43 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.436 ' CB ' ' O ' ' A' ' 83' ' ' TYR . 34.6 t80 -84.23 -49.51 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.376 1.048 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.0 -32.56 2.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.576 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.53 -60.68 2.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 4.6 pt-20 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.415 ' CB ' ' HB ' ' A' ' 25' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 2.0 ttpt -140.99 33.95 1.75 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.411 1.069 . . . . 0.0 109.376 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.08 157.7 26.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.497 ' O ' ' CG2' ' A' ' 25' ' ' THR . 7.4 m 54.81 -167.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.05 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -130.43 112.72 13.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.594 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 58' ' ' LYS . 10.1 m-85 -91.15 128.24 36.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 9.7 t80 -91.54 116.05 28.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.541 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 36.5 p90 -131.16 124.57 30.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.404 ' HA ' ' CA ' ' A' ' 21' ' ' GLY . 13.5 t -96.49 138.74 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -111.11 146.9 36.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -116.17 147.25 41.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 109.243 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.4 m -115.16 -178.8 3.46 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.081 . . . . 0.0 108.195 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -58.07 -64.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -48.49 -29.51 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.227 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.45 35.36 3.35 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.98 162.13 27.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -121.82 122.47 39.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -151.21 103.39 3.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.404 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . . . -113.18 168.42 12.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.55 168.61 29.16 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.541 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 38.8 p90 -119.99 107.58 13.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -166.18 179.2 5.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.432 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 6' ' ' SER . 13.7 p -124.72 128.06 48.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 77.75 70.97 0.19 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -30.44 7.1 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.479 1.779 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -44.32 -47.7 9.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -71.28 -54.31 11.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -50.66 -40.03 52.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.58 1.175 . . . . 0.0 110.273 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.24 -61.33 2.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 t -63.07 -23.31 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.408 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.55 -21.89 65.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.86 -23.52 16.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.552 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -91.87 15.69 12.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 t -85.78 -54.18 4.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.948 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 O-C-N 124.402 1.064 . . . . 0.0 110.9 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.3 Cg_endo -74.93 118.05 5.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.446 1.761 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.8 m -140.07 118.35 10.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.8 pt -110.74 154.46 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.6 mtt -99.91 109.51 21.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.72 -13.01 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.693 ' CE1' ' CD1' ' A' ' 84' ' ' LEU . 67.4 m-70 -126.95 152.31 47.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 55' ' ' HIS . 10.3 p -158.09 113.07 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -146.49 157.87 43.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.077 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.88 133.55 37.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 9' ' ' PHE . 10.6 m-85 -128.38 118.79 23.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -76.12 -36.75 58.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 77.8 p -101.27 156.89 17.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.377 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -39.62 18.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 m -46.35 -44.71 17.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.972 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -75.42 -36.79 60.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.26 -53.05 62.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.224 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 67' ' ' LYS . 14.8 t -64.47 -31.03 72.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.421 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.418 ' N ' HG22 ' A' ' 66' ' ' THR . 3.1 ttmt -69.79 -39.47 76.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.02 -29.63 70.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.35 -52.0 15.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 110.24 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.41 -44.43 17.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' LYS . . . -64.26 -51.8 61.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.08 -25.47 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -73.98 -38.71 64.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' ALA . 40.3 mtmt -81.15 -44.46 17.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.535 ' CD1' ' CD2' ' A' ' 83' ' ' TYR . 62.1 mt -54.25 163.94 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -130.08 179.39 5.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 110.457 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.532 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.2 OUTLIER -47.11 -20.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.437 ' N ' ' C ' ' A' ' 76' ' ' THR . 19.6 tttt -97.23 -73.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -37.53 -33.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -68.98 -67.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.34 -42.5 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -78.09 -55.8 4.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.535 ' CD2' ' CD1' ' A' ' 75' ' ' LEU . 1.2 t80 -37.2 -37.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.693 ' CD1' ' CE1' ' A' ' 55' ' ' HIS . 1.8 mp -88.69 -55.54 3.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -46.69 -50.86 17.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -42.62 -29.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -98.84 -47.41 5.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -55.77 -45.19 78.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.538 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -41.22 -68.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.249 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.533 0.206 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.515 ' HA ' ' CZ ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -54.59 -175.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 1.8 m120 59.81 76.21 0.37 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 1.8 tttt 163.19 83.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt 45.19 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 p 61.73 131.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -82.8 99.49 9.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.515 ' CZ ' ' HA ' ' A' ' 2' ' ' GLU . 95.6 m-85 -78.6 121.02 24.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.546 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 59.3 t80 -102.34 113.17 26.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -122.45 132.75 54.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.9 t -114.05 113.44 43.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.44 HD22 ' CE ' ' A' ' 53' ' ' MET . 13.2 mt -91.13 154.43 19.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 14' ' ' CYS . 1.8 tp -142.29 127.1 18.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.102 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' N ' HD12 ' A' ' 13' ' ' LEU . 20.7 p -109.52 -178.48 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 108.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -8.5 52.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -100.58 18.76 18.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 46.69 65.15 2.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -118.82 102.85 9.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 0.774 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -85.23 101.61 12.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.01 93.53 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.12 115.67 5.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.86 147.91 19.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.422 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 36.8 p90 -118.42 117.18 28.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.764 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -167.31 179.99 4.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.5 p -111.6 137.38 49.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.473 ' CG ' ' HA ' ' A' ' 3' ' ' ASN . 11.0 mt-10 67.59 63.73 0.71 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 26' ' ' GLU . 18.4 Cg_endo -75.01 -24.43 12.81 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.02 -42.66 85.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.41 -40.06 30.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -66.73 -31.15 71.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tp -72.01 -71.84 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -40.24 -41.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -52.57 -58.11 7.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -50.05 -57.97 6.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.566 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -49.98 -56.53 10.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.94 41.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.043 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.41 -63.71 0.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.4 m -52.93 -64.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.73 127.96 1.51 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -179.3 166.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.6 -73.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -149.45 94.53 2.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.9 m -153.37 92.91 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -80.31 -58.05 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.49 -56.58 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.65 100.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -87.63 -67.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -45.02 140.27 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.93 84.27 0.21 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 146.17 32.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.77 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.7 m -122.97 115.77 46.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.457 HD11 ' CG2' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -116.71 151.12 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.44 ' CE ' HD22 ' A' ' 12' ' ' LEU . 1.4 ttm -116.75 118.99 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.571 ' CD1' ' CD2' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -113.27 -12.6 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.571 ' CD2' ' CD1' ' A' ' 54' ' ' ILE . 92.9 m-70 -125.82 137.18 53.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.572 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 p -152.84 105.26 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -160.88 151.26 17.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.79 164.29 19.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 9' ' ' PHE . 5.4 m-85 -122.61 139.73 53.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -89.27 -48.45 7.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.5 p -97.73 169.23 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.473 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.52 -41.24 18.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -43.66 -65.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' ALA . 60.8 mt-10 -54.45 -36.35 63.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -63.81 -69.8 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.1 t -48.45 -24.37 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.422 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -84.83 -37.5 20.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 64' ' ' GLU . . . -63.6 -33.35 75.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.86 -38.96 27.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.96 -62.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.26 80.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.573 ' CE2' ' NZ ' ' A' ' 80' ' ' LYS . 2.0 t80 -65.15 -9.81 25.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.59 -26.42 21.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -49.89 5.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.405 HD21 ' CB ' ' A' ' 79' ' ' GLN . 32.9 mt -54.6 165.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.507 ' O ' ' CD ' ' A' ' 80' ' ' LYS . 8.0 t -118.41 -172.05 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.455 ' N ' ' OG1' ' A' ' 76' ' ' THR . 4.9 ptt85 -59.06 -13.34 6.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.85 -75.02 0.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 83' ' ' TYR . 4.6 mt-30 -40.78 -38.63 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.573 ' NZ ' ' CE2' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -63.53 -51.63 64.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -48.04 -55.98 8.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -51.06 47.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 79' ' ' GLN . 1.8 t80 -37.32 -39.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.571 HD13 ' CE1' ' A' ' 55' ' ' HIS . 4.6 mp -89.9 -47.46 7.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -48.61 39.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.7 t -50.69 -31.25 15.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.372 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -89.56 -38.92 13.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -60.1 -48.46 81.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.623 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.1 mt -43.54 -62.21 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -79.59 -178.95 6.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.494 ' O ' ' CD2' ' A' ' 91' ' ' HIS . 0.6 OUTLIER -155.62 88.05 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.595 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -138.82 109.97 6.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.588 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -176.23 139.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.573 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 62.51 126.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.6 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 57.84 175.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.601 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.4 t60 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.642 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.518 0.199 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.47 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 1.4 mm-40 -99.19 -171.6 2.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.411 ' ND2' ' N ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER -103.84 101.65 11.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -113.03 136.04 53.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.0 OUTLIER 56.48 167.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.3 m 80.17 -150.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 109.965 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -140.98 120.56 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.518 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -119.74 127.07 52.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.413 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 9.7 t80 -84.18 115.75 22.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.564 ' CE1' ' HA3' ' A' ' 22' ' ' GLY . 40.3 p90 -120.72 115.74 23.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.629 1.206 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.471 ' HB ' ' CB ' ' A' ' 55' ' ' HIS . 2.7 t -93.19 155.49 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.401 ' CD2' ' CD2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -149.79 121.34 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.7 144.18 25.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.02 170.64 7.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 108.328 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -52.49 -49.9 63.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.67 -25.95 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.37 33.77 5.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 m -81.8 176.3 9.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 0.0 110.014 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.501 ' CE2' HD13 ' A' ' 54' ' ' ILE . 32.7 m-85 -142.96 106.71 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -119.11 129.7 55.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.96 130.85 8.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.382 1.051 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.564 ' HA3' ' CE1' ' A' ' 10' ' ' TYR . . . -114.51 160.47 13.17 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.52 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 18.1 p90 -110.51 96.0 5.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -166.94 171.48 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.409 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.2 p -122.54 130.63 53.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.368 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.47 ' CG ' ' HB3' ' A' ' 2' ' ' GLU . 0.1 OUTLIER 73.97 68.05 0.27 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.313 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -12.43 21.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.44 -58.74 6.52 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 4.1 ptm180 -66.56 -34.3 77.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 51.0 ttt180 -65.53 -45.66 82.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 tp -53.32 -64.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 33' ' ' GLU . 3.4 t -51.63 -36.84 47.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.4 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.41 ' N ' HG22 ' A' ' 32' ' ' THR . 1.3 mt-10 -51.87 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -44.48 -45.67 9.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.649 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -47.96 -62.97 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.22 -56.78 7.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.45 157.88 7.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.557 1.16 . . . . 0.0 111.045 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.0 m -157.88 -56.79 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 110.425 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -176.37 86.54 0.07 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -155.36 169.11 24.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 0.723 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' THR . 17.4 ttmt -120.61 140.76 51.07 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 66.39 -68.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 41' ' ' LYS . 4.4 m -75.39 67.27 1.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.386 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.59 -57.64 2.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -109.02 32.33 5.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 109.364 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.77 113.13 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -103.19 -55.5 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.81 169.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.5 95.82 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 168.15 25.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.56 1.821 . . . . 0.0 111.039 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.7 m -141.78 110.49 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 pt -108.91 133.2 54.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.7 134.0 37.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 111.051 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.501 HD13 ' CE2' ' A' ' 19' ' ' PHE . 1.4 pp -152.65 41.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.471 ' CB ' ' HB ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER 174.16 101.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.641 1.213 . . . . 0.0 109.594 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.7 p -121.26 126.36 49.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -138.16 158.88 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -126.86 143.89 51.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.468 ' CE1' ' HB1' ' A' ' 68' ' ' ALA . 17.6 m-85 -136.82 99.29 3.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -68.44 -29.52 68.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 p -123.94 159.35 29.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.2 ptt-85 -70.39 -26.68 63.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 m -57.58 -57.28 13.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 109.968 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -60.35 -46.14 90.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.605 1.191 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -43.11 -65.52 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.0 t -58.86 -28.4 66.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -66.77 -59.18 3.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.468 ' HB1' ' CE1' ' A' ' 59' ' ' PHE . . . -57.31 -30.85 65.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -57.27 5.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.99 -45.63 31.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.51 -56.14 13.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.53 ' CD2' ' HE2' ' A' ' 80' ' ' LYS . 3.6 t80 -50.55 -51.26 49.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -57.57 -23.54 51.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.23 -34.4 23.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.402 HD23 ' CB ' ' A' ' 79' ' ' GLN . 80.0 mt -69.6 153.89 42.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 9.8 t -116.69 -165.53 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 110.401 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.449 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.0 OUTLIER -63.25 -12.1 26.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.581 1.176 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -90.94 -74.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.214 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.402 ' CB ' HD23 ' A' ' 75' ' ' LEU . 9.1 mp0 -39.98 -50.25 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.53 ' HE2' ' CD2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -54.23 -54.47 39.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -52.34 -26.45 12.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -46.23 71.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -58.21 -39.41 78.95 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 54' ' ' ILE . 3.5 mm? -58.43 -50.51 73.44 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 88' ' ' HIS . 0.1 OUTLIER -61.04 -62.94 1.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.6 p -38.86 -33.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -83.75 -44.22 14.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' LYS . 7.7 t60 -56.55 -42.45 78.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.549 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 86.2 mt -51.29 -66.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.367 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.98 71.94 10.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.525 ' CD2' ' HB2' ' A' ' 93' ' ' HIS . 60.6 t60 -70.89 -63.25 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.593 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.0 t60 47.79 61.76 2.8 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.407 1.067 . . . . 0.0 109.615 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.525 ' HB2' ' CD2' ' A' ' 91' ' ' HIS . 2.2 t-80 -118.42 150.11 40.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 109.583 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -159.5 146.1 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.596 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -106.35 137.93 43.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.589 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.5 t60 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 0.0 109.584 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.542 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 26.2 mtt . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.4 0.143 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.417 ' HA ' ' CG ' ' A' ' 8' ' ' TYR . 2.6 mp0 -58.5 -169.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.607 1.192 . . . . 0.0 110.236 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.472 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 1.2 m-20 67.28 152.48 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 0.4 OUTLIER 85.51 178.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' LYS . 14.6 mttt -52.1 -176.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.422 1.076 . . . . 0.0 109.225 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 p 66.51 138.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -84.15 125.78 32.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.571 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.542 ' CZ ' ' O ' ' A' ' 1' ' ' MET . 11.7 m-85 -108.43 129.65 55.26 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.448 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 2.8 t80 -110.8 118.58 36.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.945 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.489 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 54.4 p90 -114.72 126.1 54.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.2 t -106.45 91.48 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.228 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.492 ' C ' ' CD2' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -93.77 143.32 26.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.77 140.65 41.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.5 m -92.87 161.26 14.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.385 1.053 . . . . 0.0 108.311 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.94 -57.23 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.43 -42.19 61.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.09 42.64 0.51 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.28 116.58 29.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 0.78 . . . . 0.0 109.913 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.558 ' CE1' ' HG3' ' A' ' 77' ' ' ARG . 12.5 m-85 -85.81 102.43 13.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -113.9 128.44 56.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.448 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . -116.59 136.46 12.82 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.61 123.59 3.58 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.594 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 44.7 p90 -106.87 104.01 13.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -167.39 -179.88 4.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 p -104.17 135.44 45.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.487 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 3' ' ' ASN . 35.1 mt-10 58.92 63.99 3.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.405 1.065 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 26' ' ' GLU . 18.3 Cg_endo -75.0 -29.89 7.75 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.451 1.764 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -46.41 -49.86 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -74.41 -51.5 14.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -48.69 -46.59 40.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.236 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -60.29 4.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.1 m -44.36 -55.1 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.607 1.192 . . . . 0.0 110.353 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -42.07 -58.19 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -47.57 -59.44 3.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.584 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.76 -60.66 1.29 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.398 1.061 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 t -45.37 -57.25 4.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.056 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.5 -138.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.557 1.16 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.2 m 60.57 98.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.411 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.51 81.44 1.03 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.15 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.46 -59.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.399 0.705 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -126.6 131.86 51.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -60.16 102.86 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.9 t -169.0 119.41 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.347 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -97.36 -54.28 3.2 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -63.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.197 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.87 86.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.379 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.37 19.95 16.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 109.216 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -107.72 153.09 23.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 0.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.87 85.46 0.12 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.078 . . . . 0.0 110.338 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 161.27 38.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.551 1.817 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.6 m -128.4 123.12 59.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 pt -113.89 133.04 61.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.4 mtt -100.57 117.47 34.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.57 7.04 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.61 ' CE1' ' CD1' ' A' ' 84' ' ' LEU . 62.2 m-70 -143.69 150.67 39.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.588 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 55' ' ' HIS . 9.7 p -158.42 98.74 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.357 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -114.5 141.23 47.98 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.459 1.1 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.502 ' HB3' ' CE1' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -138.98 108.91 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.364 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.497 ' CE1' ' HB2' ' A' ' 65' ' ' ALA . 0.6 OUTLIER -133.8 150.25 51.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.943 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -103.72 -12.19 17.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.0 p -99.32 137.94 37.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.589 1.181 . . . . 0.0 110.351 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -75.33 -47.23 28.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.225 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 m -42.1 -42.45 2.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -54.43 8.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.497 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . . . -41.97 -56.5 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 67' ' ' LYS . 7.7 t -58.43 -40.69 83.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.411 ' N ' HG22 ' A' ' 66' ' ' THR . 0.0 OUTLIER -58.16 -47.28 83.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.12 -37.59 64.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -52.24 26.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.608 1.193 . . . . 0.0 110.265 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.55 -65.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.56 -51.86 44.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.84 -52.18 11.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.48 -29.77 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -91.72 -43.14 9.75 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.395 1.059 . . . . 0.0 109.288 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.47 HD12 ' CG ' ' A' ' 83' ' ' TYR . 65.7 mt -58.39 163.23 3.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.481 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 3.6 t -133.26 -176.36 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.354 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.558 ' HG3' ' CE1' ' A' ' 19' ' ' PHE . 35.4 ttm180 -49.93 -19.52 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -98.47 -74.09 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 109.343 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 78' ' ' LYS . 0.6 OUTLIER -33.75 -51.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -52.48 -61.08 2.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.229 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -36.08 -52.52 0.77 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.576 1.172 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -72.94 -61.64 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.47 ' CG ' HD12 ' A' ' 75' ' ' LEU . 22.4 t80 -35.65 -44.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.61 ' CD1' ' CE1' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -82.9 -56.19 3.96 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 8.6 ttpp -43.25 -49.62 6.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.378 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.8 p -43.24 -38.35 2.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 110.46 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -94.71 -44.77 7.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -47.22 -42.74 20.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 0.0 109.59 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.9 mp -61.95 -60.84 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.372 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -178.46 2.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -155.76 136.38 13.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.596 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -116.65 170.42 8.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.446 1.091 . . . . 0.0 109.557 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -78.16 138.89 38.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 109.511 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.444 ' CD2' ' CE ' ' A' ' 58' ' ' LYS . 22.1 p-80 -145.34 172.95 12.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.492 1.12 . . . . 0.0 109.559 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -104.42 116.43 32.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.605 1.191 . . . . 0.0 109.644 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.426 ' O ' ' NZ ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.653 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.549 0.214 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -159.31 77.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.25 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.496 ' HB2' ' CA ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -114.56 123.95 50.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -133.55 119.76 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.61 1.194 . . . . 0.0 109.348 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 6' ' ' SER . 11.5 mttt 72.86 152.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.2 p 85.75 -168.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.062 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -135.03 115.26 13.29 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.127 . . . . 0.0 109.634 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.454 ' CE1' ' HB3' ' A' ' 58' ' ' LYS . 1.3 m-85 -103.89 120.75 41.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.448 ' HB3' ' CB ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -82.59 99.12 9.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.482 ' CD1' HG23 ' A' ' 56' ' ' THR . 2.7 m-85 -112.79 101.38 9.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.404 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 1.7 t -87.95 97.05 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.436 HD21 ' CE ' ' A' ' 53' ' ' MET . 0.4 OUTLIER -77.67 154.3 32.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 tt -112.19 149.32 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.6 OUTLIER -114.35 158.39 21.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.586 1.179 . . . . 0.0 108.288 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -38.15 4.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.21 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.4 -39.32 78.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' CYS . . . 112.47 45.48 0.79 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 p -101.51 135.41 43.06 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.465 0.744 . . . . 0.0 109.967 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -90.84 100.73 13.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -89.11 91.66 8.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.071 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.35 106.62 2.03 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.504 1.128 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -114.63 125.05 6.63 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.555 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 23.7 p90 -109.15 94.6 5.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 0.735 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -167.57 179.12 5.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.496 ' CA ' ' HB2' ' A' ' 3' ' ' ASN . 15.7 p -128.17 123.15 33.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' N ' ' HB2' ' A' ' 3' ' ' ASN . 1.9 tm-20 77.95 74.09 0.17 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -4.49 15.48 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.449 1.763 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -62.92 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -34.12 76.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -67.57 -44.11 79.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mt -58.43 -69.27 0.19 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.1 t -41.56 -39.96 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.56 -61.2 1.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.509 ' CD2' ' OG1' ' A' ' 38' ' ' THR . 0.3 OUTLIER -48.56 -56.33 8.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.645 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -46.01 -44.44 15.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.05 -50.11 44.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -84.06 -125.35 1.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.509 ' OG1' ' CD2' ' A' ' 34' ' ' HIS . 55.0 m 58.89 -87.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 0.0 110.355 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 37' ' ' GLY . . . 147.1 -152.99 25.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.597 1.186 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 177.77 153.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -59.95 4.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -138.2 -50.21 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.0 p -94.16 121.83 36.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.77 19.47 6.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.608 1.192 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.8 25.26 4.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.5 88.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -110.94 -43.93 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -56.13 87.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -138.63 84.98 17.79 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 67.77 5.8 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.0 m -79.22 102.21 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.361 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -106.91 155.21 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.436 ' CE ' HD21 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -92.27 143.67 26.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.0 pp -148.97 -46.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.552 ' ND1' ' CD1' ' A' ' 84' ' ' LEU . 15.6 m-70 -115.05 121.05 41.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.558 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.482 HG23 ' CD1' ' A' ' 10' ' ' TYR . 6.0 p -126.67 157.88 37.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 9' ' ' PHE . 2.0 tt0 -169.17 159.03 8.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.454 ' HB3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -138.06 155.97 48.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -159.04 117.26 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.049 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.58 -0.99 57.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.333 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -123.9 143.27 50.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.389 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -50.06 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.428 ' O ' ' CG2' ' A' ' 66' ' ' THR . 19.6 m -42.96 -67.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.065 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.99 -51.54 40.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.0 -67.01 0.32 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 63' ' ' SER . 10.2 t -52.7 -30.78 34.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.45 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -48.13 70.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.51 -34.72 50.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.81 -60.87 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.7 -30.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.33 -50.63 8.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.559 ' CD2' ' HE2' ' A' ' 80' ' ' LYS . 20.5 t80 -48.55 -50.63 31.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.09 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.12 -23.98 16.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -92.4 -50.1 5.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.597 1.186 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 79' ' ' GLN . 33.2 mt -52.06 171.17 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 8.6 t -138.17 -171.7 3.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.444 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.5 OUTLIER -57.4 -15.29 6.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.34 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 79' ' ' GLN . 1.2 tttm -95.18 -75.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.466 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -37.05 -61.03 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.182 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.559 ' HE2' ' CD2' ' A' ' 72' ' ' PHE . 36.0 mttt -42.01 -48.32 4.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.521 ' HA ' ' CE1' ' A' ' 55' ' ' HIS . 15.2 tt0 -47.86 -55.76 9.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 85' ' ' LYS . 3.2 mm-40 -71.92 -54.8 8.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 82' ' ' GLN . 2.5 t80 -35.71 -47.39 0.48 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 111.041 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.552 ' CD1' ' ND1' ' A' ' 55' ' ' HIS . 0.4 OUTLIER -75.41 -43.29 50.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' GLN . 0.0 OUTLIER -54.32 -56.8 14.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.5 p -40.65 -28.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.382 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.426 ' N ' ' C ' ' A' ' 85' ' ' LYS . 75.1 t80 -98.44 -62.06 1.29 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 111.011 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -40.06 -44.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.383 1.052 . . . . 0.0 109.6 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.1 mt -40.72 -61.16 0.99 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.89 104.43 4.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -118.23 -62.85 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.669 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.1 m170 66.07 112.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 0.0 109.566 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -46.95 167.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.554 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.0 t60 51.11 96.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.581 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -90.45 173.0 8.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.567 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.509 0.195 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -158.2 106.59 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.472 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 7.2 m-80 59.25 108.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -172.29 130.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 6' ' ' SER . 8.2 pttt -53.14 165.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.466 ' O ' ' CG2' ' A' ' 25' ' ' THR . 0.7 OUTLIER 79.51 -165.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 109.988 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.438 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 2.1 m-70 -117.26 128.74 55.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.601 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.519 ' CZ ' ' HG2' ' A' ' 58' ' ' LYS . 2.6 m-85 -109.05 117.72 34.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -92.94 126.66 38.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 27' ' ' PRO . 15.2 p90 -137.77 174.43 10.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 55' ' ' HIS . 24.9 t -139.66 127.73 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mp -98.8 139.76 33.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.21 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.487 ' C ' ' CD2' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -127.05 134.96 50.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.4 m -106.63 167.1 10.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -51.41 -34.08 33.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.63 -44.18 87.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.379 1.05 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.13 42.86 0.75 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.425 1.078 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.94 118.01 35.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 0.747 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -98.75 122.02 41.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.47 112.45 15.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.595 1.185 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.22 147.61 21.73 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.57 143.8 9.06 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -116.72 109.69 17.48 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.533 0.784 . . . . 0.0 110.978 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -165.93 -179.8 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 6' ' ' SER . 46.9 p -117.76 120.6 38.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 110.309 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 3' ' ' ASN . 1.0 OUTLIER 76.99 72.38 0.2 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 110.233 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 10' ' ' TYR . 18.1 Cg_endo -75.03 -0.73 10.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.502 1.791 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.6 -59.63 2.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 110.36 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 10.9 ptm180 -63.79 -37.24 86.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 1.178 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -69.8 -36.86 76.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 27' ' ' PRO . 12.7 tp -68.6 -64.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 t -45.51 -38.23 6.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.436 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -44.89 -51.21 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -65.71 -49.49 68.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.608 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -56.46 -21.25 24.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 t -109.0 22.45 15.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.175 . . . . 0.0 109.999 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.23 132.35 2.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.558 1.161 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 m -146.11 85.38 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.737 . . . . 0.0 110.39 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.23 55.05 17.19 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.461 1.101 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.98 172.73 15.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 0.772 . . . . 0.0 109.368 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -67.6 162.72 22.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -84.28 160.2 20.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.045 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.3 p -140.98 129.1 22.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 110.421 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -95.37 -19.51 19.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -34.61 62.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 42.55 84.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -54.78 43.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 54.24 98.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.357 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.52 152.71 47.39 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 152.45 41.14 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.444 1.76 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.1 m -136.51 130.25 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.4 161.03 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.392 1.057 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 mtm -101.03 126.04 47.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.466 ' CD1' HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -122.39 -40.04 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.478 ' HB3' ' CG2' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -107.33 120.85 43.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.568 1.168 . . . . 0.0 109.537 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 p -128.84 148.02 50.85 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.441 1.088 . . . . 0.0 110.396 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.485 ' OE2' ' CE1' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -167.71 132.86 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.519 ' HG2' ' CZ ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -113.85 152.15 31.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 109.393 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.659 ' CZ ' ' CB ' ' A' ' 68' ' ' ALA . 48.5 m-85 -149.45 113.31 5.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -71.18 -46.47 61.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.647 1.217 . . . . 0.0 110.297 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.6 p -100.23 161.52 13.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -79.19 -34.22 43.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 m -52.85 -57.07 11.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.96 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.55 -23.69 66.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 110.242 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.46 -69.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.3 t -49.46 -24.4 2.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -75.34 -45.87 36.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.659 ' CB ' ' CZ ' ' A' ' 59' ' ' PHE . . . -66.9 -31.89 72.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -69.88 -49.93 47.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.83 -43.67 63.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.74 -55.58 18.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -54.24 -25.8 25.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -80.79 -16.03 54.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -6.2 28.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.6 mt -90.42 160.36 16.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.513 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 2.1 t -131.59 -176.36 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.429 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.513 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.0 OUTLIER -50.68 -19.3 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -84.37 -75.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -42.84 -38.41 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.262 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.62 -58.54 4.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.402 1.063 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.93 -17.15 21.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.231 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -76.26 -39.47 54.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.394 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -73.11 -25.45 60.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.548 1.155 . . . . 0.0 111.046 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.451 ' CD1' ' HB ' ' A' ' 54' ' ' ILE . 4.5 mm? -70.1 -49.99 45.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -65.61 -58.86 4.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.0 t -50.26 -23.19 2.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 110.427 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.434 ' CB ' ' O ' ' A' ' 83' ' ' TYR . 32.1 t80 -89.75 -35.52 15.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -49.11 46.94 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 0.0 109.585 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.2 mt -47.68 -58.21 4.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -149.65 140.48 22.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -112.2 -62.85 1.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.578 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 63.89 78.34 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.501 1.126 . . . . 0.0 109.594 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.53 138.47 58.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.637 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -121.89 120.3 34.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.629 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -75.05 115.23 14.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.594 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.605 1.191 . . . . 0.0 109.606 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttt . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 120.489 0.185 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -140.08 179.25 6.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 5' ' ' LYS . 1.1 m120 66.09 -169.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.241 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.76 95.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 3' ' ' ASN . 0.1 OUTLIER -179.87 97.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.73 171.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -97.42 119.34 35.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.478 1.112 . . . . 0.0 109.526 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 58' ' ' LYS . 7.9 m-85 -105.71 103.44 12.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -85.23 110.14 18.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.446 ' CZ ' ' CG2' ' A' ' 56' ' ' THR . 2.2 m-30 -117.71 122.15 42.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.078 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.409 ' HA ' ' CA ' ' A' ' 21' ' ' GLY . 5.2 t -89.97 104.59 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -81.05 150.04 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.409 ' CD1' ' O ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -131.6 113.02 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 1.6 m -72.08 178.82 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.77 -56.9 4.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 110.389 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.3 -36.76 53.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.25 60.02 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.68 112.43 24.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.975 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -84.88 100.98 11.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.55 101.04 5.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.409 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . . . -116.37 148.15 18.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 111.077 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -158.1 157.64 28.45 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 23' ' ' TYR . 35.7 p90 -104.95 129.36 53.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -167.4 -179.79 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.437 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 p -118.75 129.22 55.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.412 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' OE1' ' NE ' ' A' ' 29' ' ' ARG . 0.7 OUTLIER 74.94 69.86 0.23 Allowed Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.578 1.173 . . . . 0.0 110.304 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -0.6 10.18 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.436 1.756 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.55 -63.9 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.43 ' O ' ' CG2' ' A' ' 32' ' ' THR . 12.0 ptp180 -61.55 -26.77 68.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 33' ' ' GLU . 2.4 ttp180 -68.53 -62.21 1.49 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.42 -59.0 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.43 ' CG2' ' O ' ' A' ' 29' ' ' ARG . 4.8 t -52.36 -37.8 57.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 30' ' ' ARG . 1.3 tt0 -64.09 -66.04 0.6 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 1.178 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -42.31 -63.57 0.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.656 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -44.73 -58.73 2.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 t -49.92 -56.12 11.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.8 129.14 2.59 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.447 1.092 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.1 t -74.56 148.61 40.69 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 0.74 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.06 -134.68 12.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.97 104.15 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 0.724 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.1 149.17 4.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 54.82 173.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.3 m -79.65 99.28 7.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.67 -55.37 4.41 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 1.142 . . . . 0.0 110.325 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.84 -63.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.7 124.05 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.373 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -97.07 -58.45 2.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 60.48 155.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 60.12 82.82 0.22 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 98.25 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.446 1.761 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.1 m -76.88 136.88 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.4 pt -122.8 151.11 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.13 136.85 32.79 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.474 HD13 ' CD2' ' A' ' 55' ' ' HIS . 0.6 OUTLIER -140.44 -47.14 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 84' ' ' LEU . 88.5 m-70 -107.91 153.17 23.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 55' ' ' HIS . 7.4 p -158.05 107.6 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.433 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.35 139.62 50.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.57 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 1.7 tttt -130.88 119.54 22.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -145.81 119.4 9.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -88.54 -23.72 23.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.363 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.9 p -97.35 140.95 31.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.462 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -38.54 88.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.62 -44.41 47.32 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.597 1.186 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.72 -30.33 40.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.36 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.91 -54.74 19.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 t -59.77 -38.4 81.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -54.18 49.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.21 -42.84 31.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -67.91 -55.08 14.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.83 -50.53 14.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.56 -46.16 89.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.508 ' CG ' ' HE2' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -56.36 -16.73 6.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 111.06 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -81.61 -34.57 30.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.156 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -94.58 24.29 4.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 79' ' ' GLN . 22.2 mt -134.04 168.9 17.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -133.87 178.03 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.499 ' N ' ' OG1' ' A' ' 76' ' ' THR . 15.1 ptt180 -48.51 -19.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -95.92 -73.01 0.61 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.466 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -37.99 -38.46 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.508 ' HE2' ' CG ' ' A' ' 72' ' ' PHE . 16.5 mttt -63.06 -53.68 49.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' LYS . 1.2 tp10 -47.54 -51.26 21.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.065 . . . . 0.0 110.336 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -70.45 -49.07 52.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 83' ' ' TYR . 1.1 t80 -41.83 -51.37 4.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.575 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 5.1 mp -75.23 -26.45 58.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' GLN . 19.3 tttt -57.97 -57.96 10.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -46.34 -34.37 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -80.81 -37.11 30.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -12.49 61.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.599 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.56 -46.93 44.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -137.4 106.43 5.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.219 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -57.53 151.23 17.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.538 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 40.5 m170 58.73 170.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.594 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -149.92 -60.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.66 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -69.5 150.46 47.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.426 1.079 . . . . 0.0 109.626 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -117.9 -62.73 1.51 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.588 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 109.579 -179.934 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.597 ' O ' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.459 0.171 . . . . 0.0 111.001 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -137.03 174.22 10.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 110.343 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.477 ' CB ' ' HG2' ' A' ' 26' ' ' GLU . 0.9 OUTLIER 71.02 176.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 5' ' ' LYS . 2.1 tptm 67.19 142.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -39.25 115.48 0.5 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER 160.78 126.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -82.34 98.8 9.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.586 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.597 ' CE1' ' O ' ' A' ' 1' ' ' MET . 35.4 m-85 -93.21 112.59 24.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -87.38 117.78 26.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -126.93 138.97 53.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.1 t -109.8 138.52 37.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.2 mt -114.31 127.03 55.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -110.68 120.44 42.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 27.5 m -97.68 -159.86 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 108.274 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -95.44 -19.6 19.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.173 . . . . 0.0 110.316 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -100.01 35.58 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 45.19 54.6 7.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.592 1.182 . . . . 0.0 111.041 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.1 m -107.73 100.6 9.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.047 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -88.86 117.11 27.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.3 92.22 3.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.77 128.59 9.55 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.03 144.18 9.81 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 23' ' ' TYR . 51.5 p90 -108.37 126.85 53.33 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.491 0.759 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -167.23 169.99 12.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.408 1.068 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.5 p -98.37 142.06 30.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 3' ' ' ASN . 48.4 mt-10 52.79 72.06 1.27 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.203 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 -35.07 3.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -43.1 -49.56 6.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -70.8 -53.95 13.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.42 -40.67 37.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.36 -58.21 9.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.406 1.067 . . . . 0.0 109.276 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' GLU . 20.2 m -42.61 -57.24 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.409 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -38.74 -56.67 1.31 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 110.348 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.557 ' CD2' ' C ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -46.22 -65.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.463 ' N ' ' CG ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -53.54 -22.0 7.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.069 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -100.19 26.06 6.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.064 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.0 150.04 8.92 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.425 1.078 . . . . 0.0 111.103 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.7 m -149.05 -59.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 110.397 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.02 111.54 0.56 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 66.25 107.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 0.79 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.27 152.64 0.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.072 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -157.45 162.67 38.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.6 m 56.34 86.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.461 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.97 -39.72 10.97 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.092 . . . . 0.0 110.19 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.47 -66.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.71 73.66 1.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 109.242 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -40.73 -63.17 0.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -69.15 125.06 25.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.242 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.427 ' O ' ' CG ' ' A' ' 49' ' ' ARG . 11.2 ptp180 -122.81 120.32 27.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 110.203 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 93.48 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.565 1.824 . . . . 0.0 111.009 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.4 m -79.3 114.92 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.2 pt -109.63 147.02 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.242 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -93.1 113.94 26.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.954 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.569 HD12 ' CD2' ' A' ' 55' ' ' HIS . 1.4 pp -120.59 5.31 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.673 ' CE1' ' CD1' ' A' ' 84' ' ' LEU . 64.0 m-70 -141.32 155.45 45.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.584 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 55' ' ' HIS . 13.3 p -157.88 110.9 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.445 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' HG2' ' CZ ' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -135.37 150.08 49.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.566 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 2.2 ttpp -139.19 124.47 19.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.467 ' CZ ' ' HG2' ' A' ' 57' ' ' GLU . 30.8 m-85 -125.33 131.5 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -111.24 -27.79 8.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.38 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.9 p -93.03 144.52 25.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -36.0 69.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.268 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.5 m -54.39 -48.08 71.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.968 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -69.18 -44.56 71.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.4 -61.98 1.56 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -57.75 -30.82 65.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.471 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -43.73 86.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.405 1.065 . . . . 0.0 109.222 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.93 -38.39 72.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -60.29 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.222 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.26 -43.08 10.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.474 ' HA ' ' CD ' ' A' ' 74' ' ' LYS . . . -66.62 -47.61 72.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.67 -21.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -90.92 -29.46 17.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.474 ' CD ' ' HA ' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -94.79 23.54 5.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.247 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 79' ' ' GLN . 31.2 mt -138.76 168.97 18.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.62 1.2 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 78' ' ' LYS . 3.9 t -145.48 179.7 7.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -38.98 -27.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -96.62 -74.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.618 1.199 . . . . 0.0 109.328 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.471 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.9 OUTLIER -33.58 -37.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 1.099 . . . . 0.0 110.348 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.467 ' HD2' ' CA ' ' A' ' 76' ' ' THR . 0.1 OUTLIER -66.85 -64.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -37.35 -34.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 110.215 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -82.98 -50.75 8.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 83' ' ' TYR . 1.1 t80 -40.03 -35.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.673 ' CD1' ' CE1' ' A' ' 55' ' ' HIS . 3.9 mp -87.99 -38.43 15.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 82' ' ' GLN . 0.4 OUTLIER -55.13 -57.95 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.2 t -46.45 -33.31 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.461 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -83.62 -44.79 14.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -61.19 -45.37 94.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.61 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.0 mt -47.86 -64.43 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -45.97 153.13 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -174.32 149.15 1.33 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 0.0 109.559 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 69.5 104.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.68 -62.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 109.599 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.91 87.5 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.558 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -161.49 160.66 29.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.651 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.614 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 8' ' ' TYR . 7.8 mtt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.428 0.156 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 3' ' ' ASN . 1.0 OUTLIER 65.51 175.99 0.21 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.518 ' HB3' ' CB ' ' A' ' 26' ' ' GLU . 1.1 p30 -58.86 -153.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.501 ' N ' ' CG ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER 67.53 66.09 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt 67.92 149.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m 77.64 96.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.57 1.169 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -82.51 130.92 35.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.629 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.571 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 10.3 m-85 -108.86 133.36 52.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -103.52 118.81 37.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 111.036 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -120.24 137.35 54.27 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.02 91.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.468 ' CD2' ' HB ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -81.29 144.66 31.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' CD2' HG12 ' A' ' 52' ' ' ILE . 0.9 OUTLIER -113.3 139.12 49.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -94.34 162.49 13.81 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 108.281 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -56.26 -48.55 76.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.372 1.045 . . . . 0.0 110.211 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -28.18 46.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.26 49.2 1.07 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.43 1.082 . . . . 0.0 110.948 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.29 115.48 30.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -86.63 104.66 16.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.998 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -135.38 147.31 49.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.8 170.48 42.37 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.14 163.76 32.1 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.51 ' CG ' ' HB1' ' A' ' 65' ' ' ALA . 19.4 p90 -103.18 134.21 46.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 0.786 . . . . 0.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -167.45 -179.9 4.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.28 130.96 56.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.623 1.202 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.518 ' CB ' ' HB3' ' A' ' 3' ' ' ASN . 0.0 OUTLIER 71.33 68.08 0.36 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -28.09 9.37 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.432 1.753 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.49 -48.53 74.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.587 1.18 . . . . 0.0 110.244 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -49.29 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.209 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -34.59 60.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.169 . . . . 0.0 110.243 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.4 tp -72.72 -61.87 1.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -47.99 -55.03 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.427 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.79 -60.81 1.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.375 1.047 . . . . 0.0 110.325 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -43.45 -56.07 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.601 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.94 -52.38 50.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.89 42.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 110.046 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -93.07 -120.37 2.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.4 t -64.33 164.73 10.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -145.71 94.04 0.16 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.27 -50.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.795 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -174.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.46 ' HB3' ' CD1' ' A' ' 45' ' ' LEU . 72.3 m-85 -54.91 -170.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 111.066 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 175.12 -34.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -20.09 31.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.462 ' C ' ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -112.52 -14.33 13.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' N ' HD12 ' A' ' 45' ' ' LEU . . . 46.31 93.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.07 . . . . 0.0 109.402 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -59.06 -63.81 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.24 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 61.45 119.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.38 1.05 . . . . 0.0 110.33 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.6 134.63 22.62 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 0.0 110.246 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 146.72 33.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.468 ' HB ' ' CD2' ' A' ' 12' ' ' LEU . 5.1 m -129.18 110.14 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.4 HG12 ' CD2' ' A' ' 13' ' ' LEU . 7.4 pt -108.27 141.12 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.5 mtt -108.24 115.76 30.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.513 ' CD1' ' CD2' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -105.39 -13.64 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.565 ' CE1' HD12 ' A' ' 84' ' ' LEU . 98.4 m-70 -118.94 153.65 34.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 55' ' ' HIS . 5.6 p -159.04 109.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.442 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -128.4 153.21 47.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 8' ' ' TYR . 3.5 mtmt -127.1 128.71 46.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.585 1.178 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -127.08 123.08 36.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -87.79 -12.14 45.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.08 . . . . 0.0 110.299 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 77.1 p -125.92 165.07 19.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 110.425 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -85.37 -44.21 12.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.575 1.172 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 m -43.35 -48.4 6.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.052 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -51.59 64.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.63 1.206 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.51 ' HB1' ' CG ' ' A' ' 23' ' ' TYR . . . -47.41 -59.62 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.4 t -61.37 -38.86 88.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -54.96 -49.87 70.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.56 -44.11 72.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -55.48 -55.84 27.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.24 -62.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.5 -53.04 62.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.52 ' CG ' ' HE2' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -43.64 -51.82 6.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.934 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -48.13 -38.27 17.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.586 1.179 . . . . 0.0 109.356 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -28.14 36.39 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 72' ' ' PHE . 35.7 mt -79.97 152.36 29.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 8.9 t -114.13 -169.06 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.319 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.43 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.4 OUTLIER -61.61 -11.9 13.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 79' ' ' GLN . 8.3 mmtt -100.11 -75.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 83' ' ' TYR . 0.9 OUTLIER -34.77 -42.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.274 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.52 ' HE2' ' CG ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -63.78 -63.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 80' ' ' LYS . 3.5 tp10 -38.29 -53.15 1.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 110.352 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' LYS . 7.7 mm-40 -69.91 -55.85 8.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.493 ' CB ' ' O ' ' A' ' 79' ' ' GLN . 2.9 t80 -35.42 -53.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 55' ' ' HIS . 2.3 mp -68.86 -42.73 76.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.371 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 82' ' ' GLN . 0.2 OUTLIER -50.25 -50.1 51.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 87' ' ' PHE . 0.8 OUTLIER -43.7 -38.1 2.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.42 ' N ' HG21 ' A' ' 86' ' ' THR . 2.5 t80 -85.63 -27.47 25.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LYS . 4.8 t60 -63.82 -36.88 85.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -44.6 -63.29 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.11 173.12 8.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -145.21 74.87 1.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.567 1.167 . . . . 0.0 109.633 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.477 ' CE1' ' O ' ' A' ' 93' ' ' HIS . 16.2 t-80 -79.17 152.13 30.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.406 1.066 . . . . 0.0 109.569 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.477 ' O ' ' CE1' ' A' ' 92' ' ' HIS . 1.7 t-160 -116.67 172.13 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.24 125.71 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.524 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -98.0 -61.14 1.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.594 1.183 . . . . 0.0 109.608 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.665 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtm . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.487 0.184 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 179.37 105.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.601 1.188 . . . . 0.0 110.267 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.457 ' N ' ' ND2' ' A' ' 3' ' ' ASN . 0.2 OUTLIER -136.32 102.12 4.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -122.7 44.22 2.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.88 145.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.451 ' O ' ' CG2' ' A' ' 25' ' ' THR . 15.9 p 64.94 -157.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -128.47 128.53 44.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 109.589 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 58' ' ' LYS . 9.2 m-85 -119.92 127.17 52.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 111.057 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -86.76 122.04 30.1 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.615 1.197 . . . . 0.0 111.06 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.421 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 8.7 p90 -124.15 149.84 45.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.4 t -110.86 91.3 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.2 mt -76.65 122.21 24.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.98 138.3 46.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.47 -178.93 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 1.06 . . . . 0.0 108.323 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -62.11 -31.31 71.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -61.52 -16.71 50.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.49 32.07 55.55 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 m -100.12 146.61 26.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 110.035 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -99.13 107.43 19.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -95.2 104.43 16.32 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.19 109.03 3.25 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -120.21 162.91 14.09 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.54 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 29.9 p90 -135.37 99.76 4.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.575 0.809 . . . . 0.0 111.019 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.457 ' CG2' ' N ' ' A' ' 25' ' ' THR . 0.5 OUTLIER -166.58 179.93 5.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.457 ' N ' ' CG2' ' A' ' 24' ' ' THR . 28.1 p -135.13 129.36 33.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.404 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 3' ' ' ASN . 0.7 OUTLIER 77.75 71.61 0.19 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -19.81 17.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.444 1.76 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -51.85 -56.53 13.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.586 1.179 . . . . 0.0 110.343 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.465 ' HA ' ' CG2' ' A' ' 32' ' ' THR . 5.9 ptt180 -76.0 -25.12 55.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -70.17 -39.71 75.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.32 -62.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 29' ' ' ARG . 2.4 t -48.57 -33.37 9.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.463 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -44.08 -64.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 38' ' ' THR . 17.0 p80 -77.13 -48.38 17.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.608 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -43.69 -59.08 2.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -51.11 -48.56 61.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.53 -89.16 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.592 1.183 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' HIS . 12.8 t -108.52 112.37 24.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 0.798 . . . . 0.0 110.468 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.47 -134.89 7.63 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.95 107.18 17.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 0.739 . . . . 0.0 109.355 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 42' ' ' TYR . 1.8 tttt -45.17 167.85 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.627 1.204 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.43 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER 68.97 -59.12 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 111.002 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.5 p -137.83 90.57 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -100.9 -13.71 18.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' C ' ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -99.99 -6.25 26.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.75 164.91 25.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.09 -44.47 15.57 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.08 147.2 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.61 1.194 . . . . 0.0 110.302 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.79 138.05 12.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.27 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 168.81 23.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.3 m -140.5 86.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -104.12 147.67 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.411 ' O ' ' HG2' ' A' ' 53' ' ' MET . 0.0 OUTLIER -120.42 130.74 54.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.499 ' O ' ' CD1' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -119.81 -8.94 11.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.602 ' NE2' ' CG ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -115.5 97.46 6.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.575 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 p -100.49 123.06 44.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 110.432 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.28 148.82 42.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -128.79 155.36 45.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 68' ' ' ALA . 43.7 m-85 -165.48 134.23 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.406 ' CG ' HG23 ' A' ' 61' ' ' THR . 8.7 pt-20 -107.4 -19.2 13.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.546 1.153 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.406 HG23 ' CG ' ' A' ' 60' ' ' GLU . 75.3 p -108.49 145.27 34.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.078 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.0 -43.32 65.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.249 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -51.27 -37.26 46.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.6 1.187 . . . . 0.0 110.027 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -82.63 -47.26 12.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.365 1.041 . . . . 0.0 110.358 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.71 -43.66 72.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.46 1.1 . . . . 0.0 109.233 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 t -71.52 -42.63 67.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.5 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.95 -55.3 36.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.363 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 59' ' ' PHE . . . -49.9 -41.92 46.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -54.44 46.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.36 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.17 -51.51 24.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.99 -53.65 54.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.393 1.058 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.497 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 1.3 t80 -58.42 -16.86 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -86.0 -19.77 29.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.226 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -93.6 -36.08 12.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 79' ' ' GLN . 76.4 mt -61.56 166.44 4.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 7.9 t -136.59 -171.38 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.455 ' N ' ' OG1' ' A' ' 76' ' ' THR . 4.0 ptt180 -53.8 -18.52 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -75.27 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.461 ' HG2' ' CD2' ' A' ' 75' ' ' LEU . 0.7 OUTLIER -42.34 -52.99 4.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 110.204 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -54.13 -49.72 68.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.601 1.188 . . . . 0.0 109.407 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -59.53 -20.71 57.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -71.99 -43.85 64.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.211 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.602 ' CG ' ' NE2' ' A' ' 55' ' ' HIS . 0.8 OUTLIER -64.23 -35.49 80.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.958 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 54' ' ' ILE . 2.0 mm? -60.25 -52.97 63.04 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.91 -65.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -39.65 -33.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.43 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.436 ' CB ' ' O ' ' A' ' 83' ' ' TYR . 34.6 t80 -84.23 -49.51 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.376 1.048 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.0 -32.56 2.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.576 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.53 -60.68 2.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 4.6 pt-20 -100.51 106.89 18.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -131.49 85.09 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 109.601 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -172.43 80.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.552 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.71 72.41 0.88 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.502 1.126 . . . . 0.0 109.69 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 94' ' ' HIS . 1.5 p80 -81.85 61.34 5.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.612 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.96 72.93 1.4 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.528 1.143 . . . . 0.0 109.615 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.064 . . . . 0.0 109.622 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 mtm . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.434 0.159 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.436 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 3.7 mm-40 -45.67 164.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.415 ' CB ' ' HB ' ' A' ' 25' ' ' THR . 0.6 OUTLIER -104.91 122.93 46.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 2.0 ttpt -140.99 33.95 1.75 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.411 1.069 . . . . 0.0 109.376 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.08 157.7 26.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.497 ' O ' ' CG2' ' A' ' 25' ' ' THR . 7.4 m 54.81 -167.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.05 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -130.43 112.72 13.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.594 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 58' ' ' LYS . 10.1 m-85 -91.15 128.24 36.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 9.7 t80 -91.54 116.05 28.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.541 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 36.5 p90 -131.16 124.57 30.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.404 ' HA ' ' CA ' ' A' ' 21' ' ' GLY . 13.5 t -96.49 138.74 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -111.11 146.9 36.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -116.17 147.25 41.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 109.243 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.4 m -115.16 -178.8 3.46 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.081 . . . . 0.0 108.195 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -58.07 -64.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -48.49 -29.51 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.227 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.45 35.36 3.35 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.98 162.13 27.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -121.82 122.47 39.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -151.21 103.39 3.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.404 ' CA ' ' HA ' ' A' ' 11' ' ' VAL . . . -113.18 168.42 12.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.55 168.61 29.16 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.541 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 38.8 p90 -119.99 107.58 13.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -166.18 179.2 5.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.432 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 6' ' ' SER . 13.7 p -124.72 128.06 48.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' CG ' ' HB3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER 77.75 70.97 0.19 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -30.44 7.1 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.479 1.779 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -44.32 -47.7 9.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -71.28 -54.31 11.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -50.66 -40.03 52.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.58 1.175 . . . . 0.0 110.273 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.24 -61.33 2.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 t -63.07 -23.31 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.408 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.55 -21.89 65.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.86 -23.52 16.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.552 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -91.87 15.69 12.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 t -85.78 -54.18 4.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.948 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.0 68.67 0.03 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.402 1.064 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.0 p -102.94 128.4 49.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 110.366 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.42 170.05 24.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -170.25 147.68 3.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.576 0.809 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.546 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -105.6 -16.22 14.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 41' ' ' LYS . 1.4 m-85 174.35 72.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.6 m -161.1 -57.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -88.64 13.87 11.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.88 -62.53 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.406 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.31 137.68 10.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -60.83 -70.8 0.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.382 1.052 . . . . 0.0 109.295 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? 57.75 38.3 27.38 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.416 1.072 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.4 OUTLIER -73.19 -53.04 5.07 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.24 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.3 Cg_endo -74.93 118.05 5.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.446 1.761 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.8 m -140.07 118.35 10.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.8 pt -110.74 154.46 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.6 mtt -99.91 109.51 21.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.72 -13.01 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.693 ' CE1' ' CD1' ' A' ' 84' ' ' LEU . 67.4 m-70 -126.95 152.31 47.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 55' ' ' HIS . 10.3 p -158.09 113.07 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -146.49 157.87 43.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.077 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.88 133.55 37.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 9' ' ' PHE . 10.6 m-85 -128.38 118.79 23.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -76.12 -36.75 58.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 77.8 p -101.27 156.89 17.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.377 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -39.62 18.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 m -46.35 -44.71 17.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.972 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -75.42 -36.79 60.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.26 -53.05 62.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.224 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 67' ' ' LYS . 14.8 t -64.47 -31.03 72.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.421 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.418 ' N ' HG22 ' A' ' 66' ' ' THR . 3.1 ttmt -69.79 -39.47 76.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.02 -29.63 70.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.35 -52.0 15.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 110.24 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.41 -44.43 17.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' LYS . . . -64.26 -51.8 61.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.08 -25.47 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -73.98 -38.71 64.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' ALA . 40.3 mtmt -81.15 -44.46 17.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.535 ' CD1' ' CD2' ' A' ' 83' ' ' TYR . 62.1 mt -54.25 163.94 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -130.08 179.39 5.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 110.457 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.532 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.2 OUTLIER -47.11 -20.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.437 ' N ' ' C ' ' A' ' 76' ' ' THR . 19.6 tttt -97.23 -73.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -37.53 -33.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -68.98 -67.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.34 -42.5 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -78.09 -55.8 4.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.535 ' CD2' ' CD1' ' A' ' 75' ' ' LEU . 1.2 t80 -37.2 -37.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.693 ' CD1' ' CE1' ' A' ' 55' ' ' HIS . 1.8 mp -88.69 -55.54 3.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -46.69 -50.86 17.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -42.62 -29.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -98.84 -47.41 5.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -55.77 -45.19 78.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.538 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -41.22 -68.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.94 133.4 38.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 -153.07 128.96 10.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.622 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -154.4 154.43 33.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.579 1.175 . . . . 0.0 109.626 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.49 141.25 36.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 1.175 . . . . 0.0 109.581 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -151.71 162.65 40.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.593 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -159.71 87.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.56 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.574 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.598 ' N ' HD21 ' A' ' 3' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 1.8 tttt 163.19 83.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt 45.19 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.51 ' O ' HG22 ' A' ' 25' ' ' THR . 6.9 p 61.73 131.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -82.8 99.49 9.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -78.6 121.02 24.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.546 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 59.3 t80 -102.34 113.17 26.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -122.45 132.75 54.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.9 t -114.05 113.44 43.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.584 HD21 ' HE3' ' A' ' 53' ' ' MET . 13.2 mt -91.13 154.43 19.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.877 HD23 HD11 ' A' ' 52' ' ' ILE . 1.8 tp -142.29 127.1 18.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.102 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' N ' HD12 ' A' ' 13' ' ' LEU . 20.7 p -109.52 -178.48 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 108.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -8.5 52.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -100.58 18.76 18.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 46.69 65.15 2.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -118.82 102.85 9.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 0.774 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -85.23 101.61 12.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.01 93.53 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.12 115.67 5.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.86 147.91 19.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.422 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 36.8 p90 -118.42 117.18 28.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.764 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.5 HG23 ' N ' ' A' ' 25' ' ' THR . 0.6 OUTLIER -167.31 179.99 4.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 6' ' ' SER . 73.5 p -111.6 137.38 49.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.407 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.499 ' CG ' ' HA ' ' A' ' 3' ' ' ASN . 11.0 mt-10 67.59 63.73 0.71 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 26' ' ' GLU . 18.4 Cg_endo -75.01 -24.43 12.81 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.02 -42.66 85.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.41 -40.06 30.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -66.73 -31.15 71.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tp -72.01 -71.84 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -40.24 -41.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -52.57 -58.11 7.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -50.05 -57.97 6.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.566 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -49.98 -56.53 10.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.94 41.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.043 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 146.17 32.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.77 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.7 m -122.97 115.77 46.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.877 HD11 HD23 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -116.71 151.12 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.584 ' HE3' HD21 ' A' ' 12' ' ' LEU . 1.4 ttm -116.75 118.99 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.655 HD13 ' H ' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -113.27 -12.6 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.753 ' HB3' HD22 ' A' ' 84' ' ' LEU . 40.2 m80 -125.82 137.18 53.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.572 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 55' ' ' HIS . 3.0 p -152.84 105.26 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -160.88 151.26 17.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.79 164.29 19.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 9' ' ' PHE . 5.4 m-85 -122.61 139.73 53.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -89.27 -48.45 7.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.5 p -97.73 169.23 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.473 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.412 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -83.52 -41.24 18.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.264 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -43.66 -65.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' ALA . 60.8 mt-10 -54.45 -36.35 63.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -63.81 -69.8 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.1 t -48.45 -24.37 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.422 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -84.83 -37.5 20.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 64' ' ' GLU . . . -63.6 -33.35 75.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.86 -38.96 27.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.96 -62.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.26 80.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.549 ' CD2' ' HE2' ' A' ' 80' ' ' LYS . 2.0 t80 -65.15 -9.81 25.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.59 -26.42 21.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -49.89 5.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' A' ' 79' ' ' GLN . 32.9 mt -54.6 165.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.783 HG23 ' H ' ' A' ' 78' ' ' LYS . 8.0 t -118.41 -172.05 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.455 ' N ' ' OG1' ' A' ' 76' ' ' THR . 4.9 ptt85 -59.06 -13.34 6.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.783 ' H ' HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -91.85 -75.02 0.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.79 ' HB3' HD22 ' A' ' 75' ' ' LEU . 4.6 mt-30 -40.78 -38.63 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.691 ' O ' HD12 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -63.53 -51.63 64.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -48.04 -55.98 8.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -51.06 47.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.534 ' O ' HG22 ' A' ' 86' ' ' THR . 1.8 t80 -37.32 -39.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.753 HD22 ' HB3' ' A' ' 55' ' ' HIS . 4.6 mp -89.9 -47.46 7.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -48.61 39.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 83' ' ' TYR . 8.7 t -50.69 -31.25 15.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.372 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -89.56 -38.92 13.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -60.1 -48.46 81.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.623 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 86' ' ' THR . 9.1 mt -43.54 -62.21 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.411 ' ND2' ' N ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -113.03 136.04 53.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.712 ' O ' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER 56.48 167.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.3 m 80.17 -150.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 109.965 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -140.98 120.56 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.518 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.478 ' HB2' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER -119.74 127.07 52.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.412 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 9.7 t80 -84.18 115.75 22.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.563 ' CE1' ' HA3' ' A' ' 22' ' ' GLY . 40.3 p90 -120.72 115.74 23.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.629 1.206 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 55' ' ' HIS . 2.7 t -93.19 155.49 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.401 ' CD2' ' CD2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -149.79 121.34 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.528 HD23 ' C ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -93.7 144.18 25.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.02 170.64 7.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 108.328 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -52.49 -49.9 63.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.67 -25.95 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.37 33.77 5.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 m -81.8 176.3 9.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 0.0 110.014 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -142.96 106.71 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -119.11 129.7 55.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.96 130.85 8.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.382 1.051 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.563 ' HA3' ' CE1' ' A' ' 10' ' ' TYR . . . -114.51 160.47 13.17 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.52 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 18.1 p90 -110.51 96.0 5.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -166.94 171.48 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.409 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.712 HG21 ' O ' ' A' ' 5' ' ' LYS . 72.2 p -122.54 130.63 53.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 73.97 68.05 0.27 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -12.43 21.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.44 -58.74 6.52 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 4.1 ptm180 -66.56 -34.3 77.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.403 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 51.0 ttt180 -65.53 -45.66 82.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 tp -53.32 -64.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 t -51.63 -36.84 47.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.4 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.87 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -44.48 -45.67 9.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.649 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -47.96 -62.97 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.22 -56.78 7.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.557 1.16 . . . . 0.0 111.045 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 168.15 25.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.56 1.821 . . . . 0.0 111.039 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.7 m -141.78 110.49 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 pt -108.91 133.2 54.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.477 ' O ' HG23 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -78.7 134.0 37.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 111.051 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.854 ' O ' HD21 ' A' ' 84' ' ' LEU . 1.4 pp -152.65 41.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.47 ' CB ' ' HB ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER 174.16 101.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.641 1.213 . . . . 0.0 109.594 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.7 p -121.26 126.36 49.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -138.16 158.88 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -126.86 143.89 51.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 68' ' ' ALA . 17.6 m-85 -136.82 99.29 3.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.635 ' HG3' HG23 ' A' ' 61' ' ' THR . 2.8 pt-20 -68.44 -29.52 68.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.635 HG23 ' HG3' ' A' ' 60' ' ' GLU . 11.5 p -123.94 159.35 29.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.2 ptt-85 -70.39 -26.68 63.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.493 ' O ' HG22 ' A' ' 66' ' ' THR . 2.9 m -57.58 -57.28 13.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 109.968 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -60.35 -46.14 90.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.605 1.191 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -43.11 -65.52 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 63' ' ' SER . 8.0 t -58.86 -28.4 66.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.414 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -66.77 -59.18 3.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 59' ' ' PHE . . . -57.31 -30.85 65.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -57.27 5.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.99 -45.63 31.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.51 -56.14 13.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.529 ' CD2' ' HE2' ' A' ' 80' ' ' LYS . 3.6 t80 -50.55 -51.26 49.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -57.57 -23.54 51.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.23 -34.4 23.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.813 HD22 ' HB3' ' A' ' 79' ' ' GLN . 80.0 mt -69.6 153.89 42.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.851 HG23 ' H ' ' A' ' 78' ' ' LYS . 9.8 t -116.69 -165.53 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 110.401 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.449 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.0 OUTLIER -63.25 -12.1 26.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.581 1.176 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.851 ' H ' HG23 ' A' ' 76' ' ' THR . 7.7 mttt -90.94 -74.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.214 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.813 ' HB3' HD22 ' A' ' 75' ' ' LEU . 9.1 mp0 -39.98 -50.25 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.529 ' HE2' ' CD2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -54.23 -54.47 39.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -52.34 -26.45 12.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.664 ' O ' HG23 ' A' ' 86' ' ' THR . 0.1 OUTLIER -68.04 -46.23 71.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -58.21 -39.41 78.95 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.854 HD21 ' O ' ' A' ' 54' ' ' ILE . 3.5 mm? -58.43 -50.51 73.44 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 88' ' ' HIS . 0.1 OUTLIER -61.04 -62.94 1.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 82' ' ' GLN . 43.6 p -38.86 -33.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.39 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -83.75 -44.22 14.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' LYS . 7.7 t60 -56.55 -42.45 78.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.549 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 86.2 mt -51.29 -66.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.367 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.292 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.789 ' N ' HD21 ' A' ' 3' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 0.4 OUTLIER 85.51 178.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' LYS . 14.6 mttt -52.1 -176.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.422 1.076 . . . . 0.0 109.225 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 p 66.51 138.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -84.15 125.78 32.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.571 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.502 ' CE1' ' HB3' ' A' ' 58' ' ' LYS . 11.7 m-85 -108.43 129.65 55.26 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.689 ' HE1' HG22 ' A' ' 11' ' ' VAL . 2.8 t80 -110.8 118.58 36.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.945 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.489 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 54.4 p90 -114.72 126.1 54.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.689 HG22 ' HE1' ' A' ' 9' ' ' PHE . 16.2 t -106.45 91.48 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.228 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.791 ' C ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -93.77 143.32 26.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.417 HD22 ' CD1' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -108.77 140.65 41.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.5 m -92.87 161.26 14.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.385 1.053 . . . . 0.0 108.311 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.94 -57.23 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.43 -42.19 61.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.09 42.64 0.51 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.28 116.58 29.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 0.78 . . . . 0.0 109.913 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CE1' ' HG3' ' A' ' 77' ' ' ARG . 12.5 m-85 -85.81 102.43 13.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -113.9 128.44 56.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.448 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . -116.59 136.46 12.82 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.61 123.59 3.58 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.594 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 44.7 p90 -106.87 104.01 13.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -167.39 -179.88 4.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 p -104.17 135.44 45.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.487 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.498 ' CG ' ' HA ' ' A' ' 3' ' ' ASN . 35.1 mt-10 58.92 63.99 3.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.405 1.065 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 26' ' ' GLU . 18.3 Cg_endo -75.0 -29.89 7.75 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.451 1.764 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -46.41 -49.86 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -74.41 -51.5 14.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -48.69 -46.59 40.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.236 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -60.29 4.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.1 m -44.36 -55.1 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.607 1.192 . . . . 0.0 110.353 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -42.07 -58.19 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -47.57 -59.44 3.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.584 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.76 -60.66 1.29 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.398 1.061 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 t -45.37 -57.25 4.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.056 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.089 0 O-C-N 124.557 1.16 . . . . 0.0 110.909 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 161.27 38.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.551 1.817 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.411 HG12 HD23 ' A' ' 12' ' ' LEU . 33.6 m -128.4 123.12 59.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.417 ' CD1' HD22 ' A' ' 13' ' ' LEU . 3.1 pt -113.89 133.04 61.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.4 mtt -100.57 117.47 34.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.612 HD13 ' H ' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -115.57 7.04 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 1.047 ' CE1' HD13 ' A' ' 84' ' ' LEU . 62.2 m-70 -143.69 150.67 39.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.588 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 55' ' ' HIS . 9.7 p -158.42 98.74 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.357 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -114.5 141.23 47.98 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.459 1.1 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.502 ' HB3' ' CE1' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -138.98 108.91 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.364 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -133.8 150.25 51.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -103.72 -12.19 17.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.0 p -99.32 137.94 37.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.589 1.181 . . . . 0.0 110.351 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -75.33 -47.23 28.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.225 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.465 ' O ' HG22 ' A' ' 66' ' ' THR . 2.1 m -42.1 -42.45 2.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -54.43 8.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.97 -56.5 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 63' ' ' SER . 7.7 t -58.43 -40.69 83.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -47.28 83.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.12 -37.59 64.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -52.24 26.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.608 1.193 . . . . 0.0 110.265 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.55 -65.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.56 -51.86 44.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.49 ' CE1' HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -45.84 -52.18 11.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.48 -29.77 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -91.72 -43.14 9.75 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.395 1.059 . . . . 0.0 109.288 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 79' ' ' GLN . 65.7 mt -58.39 163.23 3.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.576 HG23 ' H ' ' A' ' 78' ' ' LYS . 3.6 t -133.26 -176.36 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.354 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.556 ' HG3' ' CE1' ' A' ' 19' ' ' PHE . 35.4 ttm180 -49.93 -19.52 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.576 ' H ' HG23 ' A' ' 76' ' ' THR . 0.1 OUTLIER -98.47 -74.09 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 109.343 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.535 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -33.75 -51.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -52.48 -61.08 2.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.229 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -36.08 -52.52 0.77 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.576 1.172 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.798 ' O ' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -72.94 -61.64 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.457 ' CD1' HD11 ' A' ' 75' ' ' LEU . 22.4 t80 -35.65 -44.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 1.047 HD13 ' CE1' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -82.9 -56.19 3.96 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 8.6 ttpp -43.25 -49.62 6.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.378 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 82' ' ' GLN . 37.8 p -43.24 -38.35 2.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 110.46 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -94.71 -44.77 7.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -47.22 -42.74 20.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 0.0 109.59 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.9 mp -61.95 -60.84 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.372 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.495 ' HB2' ' CA ' ' A' ' 25' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -133.55 119.76 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.61 1.194 . . . . 0.0 109.348 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 6' ' ' SER . 11.5 mttt 72.86 152.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.2 p 85.75 -168.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.062 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -135.03 115.26 13.29 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.127 . . . . 0.0 109.634 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.455 ' CE1' ' HB3' ' A' ' 58' ' ' LYS . 1.3 m-85 -103.89 120.75 41.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.448 ' HB3' ' CB ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -82.59 99.12 9.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.696 ' CD1' HG22 ' A' ' 56' ' ' THR . 2.7 m-85 -112.79 101.38 9.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.622 ' O ' HG12 ' A' ' 11' ' ' VAL . 1.7 t -87.95 97.05 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.67 154.3 32.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 13' ' ' LEU . 1.2 tt -112.19 149.32 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.6 OUTLIER -114.35 158.39 21.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.586 1.179 . . . . 0.0 108.288 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -38.15 4.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.21 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.4 -39.32 78.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' CYS . . . 112.47 45.48 0.79 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 p -101.51 135.41 43.06 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.465 0.744 . . . . 0.0 109.967 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -90.84 100.73 13.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -89.11 91.66 8.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.071 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.35 106.62 2.03 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.504 1.128 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -114.63 125.05 6.63 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.555 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 23.7 p90 -109.15 94.6 5.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 0.735 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 25' ' ' THR . 0.7 OUTLIER -167.57 179.12 5.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.495 ' CA ' ' HB2' ' A' ' 3' ' ' ASN . 15.7 p -128.17 123.15 33.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.445 ' N ' ' HB2' ' A' ' 3' ' ' ASN . 1.9 tm-20 77.95 74.09 0.17 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -4.49 15.48 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.449 1.763 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -62.92 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -34.12 76.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -67.57 -44.11 79.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mt -58.43 -69.27 0.19 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.1 t -41.56 -39.96 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.56 -61.2 1.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -48.56 -56.33 8.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.645 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -46.01 -44.44 15.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.05 -50.11 44.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 67.77 5.8 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 51' ' ' VAL . 32.0 m -79.22 102.21 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.361 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -106.91 155.21 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.27 143.67 26.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.0 pp -148.97 -46.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.965 ' ND1' HD13 ' A' ' 84' ' ' LEU . 15.6 m-70 -115.05 121.05 41.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.558 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.696 HG22 ' CD1' ' A' ' 10' ' ' TYR . 6.0 p -126.67 157.88 37.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 9' ' ' PHE . 2.0 tt0 -169.17 159.03 8.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -138.06 155.97 48.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -159.04 117.26 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.049 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.58 -0.99 57.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.333 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -123.9 143.27 50.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.389 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -50.06 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.693 ' O ' HG22 ' A' ' 66' ' ' THR . 19.6 m -42.96 -67.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.065 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.99 -51.54 40.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.0 -67.01 0.32 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 63' ' ' SER . 10.2 t -52.7 -30.78 34.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.45 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -48.13 70.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.51 -34.72 50.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.81 -60.87 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.7 -30.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.33 -50.63 8.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.559 ' CD2' ' HE2' ' A' ' 80' ' ' LYS . 20.5 t80 -48.55 -50.63 31.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.09 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.12 -23.98 16.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -92.4 -50.1 5.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.597 1.186 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.783 HD22 ' HB3' ' A' ' 79' ' ' GLN . 33.2 mt -52.06 171.17 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.793 HG23 ' H ' ' A' ' 78' ' ' LYS . 8.6 t -138.17 -171.7 3.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.444 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.5 OUTLIER -57.4 -15.29 6.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.34 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.793 ' H ' HG23 ' A' ' 76' ' ' THR . 1.2 tttm -95.18 -75.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.783 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -37.05 -61.03 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.182 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.559 ' HE2' ' CD2' ' A' ' 72' ' ' PHE . 36.0 mttt -42.01 -48.32 4.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.5 ' HA ' ' CE1' ' A' ' 55' ' ' HIS . 15.2 tt0 -47.86 -55.76 9.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 85' ' ' LYS . 3.2 mm100 -71.92 -54.8 8.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 82' ' ' GLN . 2.5 t80 -35.71 -47.39 0.48 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 111.041 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.965 HD13 ' ND1' ' A' ' 55' ' ' HIS . 0.4 OUTLIER -75.41 -43.29 50.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.534 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -54.32 -56.8 14.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 82' ' ' GLN . 42.5 p -40.65 -28.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.382 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.426 ' N ' ' C ' ' A' ' 85' ' ' LYS . 75.1 t80 -98.44 -62.06 1.29 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 111.011 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -40.06 -44.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.383 1.052 . . . . 0.0 109.6 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 85' ' ' LYS . 6.1 mt -40.72 -61.16 0.99 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.433 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 9.7 m120 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -172.29 130.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 6' ' ' SER . 8.2 pttt -53.14 165.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.466 ' O ' ' CG2' ' A' ' 25' ' ' THR . 0.7 OUTLIER 79.51 -165.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 109.988 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -117.26 128.74 55.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.601 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.519 ' CZ ' ' HG2' ' A' ' 58' ' ' LYS . 2.6 m-85 -109.05 117.72 34.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -92.94 126.66 38.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 27' ' ' PRO . 15.2 p90 -137.77 174.43 10.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.919 HG12 HD11 ' A' ' 54' ' ' ILE . 24.9 t -139.66 127.73 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.521 HD23 HG11 ' A' ' 51' ' ' VAL . 1.9 mp -98.8 139.76 33.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.21 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.775 HD22 HG12 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -127.05 134.96 50.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.4 m -106.63 167.1 10.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -51.41 -34.08 33.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.63 -44.18 87.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.379 1.05 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.13 42.86 0.75 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.425 1.078 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.94 118.01 35.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 0.747 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -98.75 122.02 41.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.47 112.45 15.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.595 1.185 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.22 147.61 21.73 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.57 143.8 9.06 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -116.72 109.69 17.48 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.533 0.784 . . . . 0.0 110.978 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.441 HG23 ' N ' ' A' ' 25' ' ' THR . 0.7 OUTLIER -165.93 -179.8 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.356 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 6' ' ' SER . 46.9 p -117.76 120.6 38.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 110.309 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CG ' ' HA ' ' A' ' 3' ' ' ASN . 1.0 OUTLIER 76.99 72.38 0.2 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 110.233 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 10' ' ' TYR . 18.1 Cg_endo -75.03 -0.73 10.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.502 1.791 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.6 -59.63 2.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 110.36 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 10.9 ptm180 -63.79 -37.24 86.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 1.178 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -69.8 -36.86 76.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 27' ' ' PRO . 12.7 tp -68.6 -64.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 t -45.51 -38.23 6.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.436 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -44.89 -51.21 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -65.71 -49.49 68.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.608 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -56.46 -21.25 24.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 t -109.0 22.45 15.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.175 . . . . 0.0 109.999 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.558 1.161 . . . . 0.0 110.999 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 152.45 41.14 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.444 1.76 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.521 HG11 HD23 ' A' ' 12' ' ' LEU . 21.1 m -136.51 130.25 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.775 HG12 HD22 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -123.4 161.03 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.392 1.057 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 mtm -101.03 126.04 47.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.919 HD11 HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -122.39 -40.04 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.6 ' ND1' HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -107.33 120.85 43.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.568 1.168 . . . . 0.0 109.537 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 p -128.84 148.02 50.85 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.441 1.088 . . . . 0.0 110.396 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.485 ' OE2' ' CE1' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -167.71 132.86 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.519 ' HG2' ' CZ ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -113.85 152.15 31.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 109.393 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.659 ' CZ ' ' CB ' ' A' ' 68' ' ' ALA . 48.5 m-85 -149.45 113.31 5.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -71.18 -46.47 61.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.647 1.217 . . . . 0.0 110.297 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.6 p -100.23 161.52 13.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -79.19 -34.22 43.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 m -52.85 -57.07 11.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.96 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.55 -23.69 66.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 110.242 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.46 -69.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.3 t -49.46 -24.4 2.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -75.34 -45.87 36.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.659 ' CB ' ' CZ ' ' A' ' 59' ' ' PHE . . . -66.9 -31.89 72.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -69.88 -49.93 47.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.83 -43.67 63.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.74 -55.58 18.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -54.24 -25.8 25.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -80.79 -16.03 54.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -6.2 28.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.6 mt -90.42 160.36 16.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.513 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 2.1 t -131.59 -176.36 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.429 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.513 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.0 OUTLIER -50.68 -19.3 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.493 ' H ' HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -84.37 -75.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -42.84 -38.41 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.262 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.475 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -66.62 -58.54 4.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.402 1.063 . . . . 0.0 109.345 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.93 -17.15 21.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.231 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -76.26 -39.47 54.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.394 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.802 ' HD1' HD22 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -73.11 -25.45 60.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.548 1.155 . . . . 0.0 111.046 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.802 HD22 ' HD1' ' A' ' 83' ' ' TYR . 4.5 mm? -70.1 -49.99 45.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -65.61 -58.86 4.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 83' ' ' TYR . 2.0 t -50.26 -23.19 2.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 110.427 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.434 ' CB ' ' O ' ' A' ' 83' ' ' TYR . 32.1 t80 -89.75 -35.52 15.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -49.11 46.94 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 0.0 109.585 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.2 mt -47.68 -58.21 4.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.76 95.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 3' ' ' ASN . 0.1 OUTLIER -179.87 97.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.73 171.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -97.42 119.34 35.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.478 1.112 . . . . 0.0 109.526 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 58' ' ' LYS . 7.9 m-85 -105.71 103.44 12.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.427 ' HE1' HG22 ' A' ' 11' ' ' VAL . 2.3 t80 -85.23 110.14 18.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.728 ' CZ ' HG22 ' A' ' 56' ' ' THR . 2.2 m-30 -117.71 122.15 42.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.078 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.427 HG22 ' HE1' ' A' ' 9' ' ' PHE . 5.2 t -89.97 104.59 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -81.05 150.04 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -131.6 113.02 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.521 ' O ' HD12 ' A' ' 13' ' ' LEU . 1.6 m -72.08 178.82 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.77 -56.9 4.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 110.389 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.3 -36.76 53.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.25 60.02 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.68 112.43 24.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.975 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -84.88 100.98 11.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.55 101.04 5.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.37 148.15 18.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 111.077 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -158.1 157.64 28.45 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 23' ' ' TYR . 35.7 p90 -104.95 129.36 53.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.485 HG23 ' N ' ' A' ' 25' ' ' THR . 0.6 OUTLIER -167.4 -179.79 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.437 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.485 ' N ' HG23 ' A' ' 24' ' ' THR . 8.9 p -118.75 129.22 55.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.412 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.419 ' OE1' ' NE ' ' A' ' 29' ' ' ARG . 0.7 OUTLIER 74.94 69.86 0.23 Allowed Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.578 1.173 . . . . 0.0 110.304 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -0.6 10.18 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.436 1.756 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.55 -63.9 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.435 ' C ' HG22 ' A' ' 32' ' ' THR . 12.0 ptp180 -61.55 -26.77 68.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 33' ' ' GLU . 2.4 ttp180 -68.53 -62.21 1.49 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.482 HD11 HG21 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -41.42 -59.0 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.435 HG22 ' C ' ' A' ' 29' ' ' ARG . 4.8 t -52.36 -37.8 57.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 30' ' ' ARG . 1.3 tt0 -64.09 -66.04 0.6 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 1.178 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -42.31 -63.57 0.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.656 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -44.73 -58.73 2.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 t -49.92 -56.12 11.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.08 0 O-C-N 124.447 1.092 . . . . 0.0 110.916 179.908 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 . . . . . 0 N--CA 1.451 -0.386 0 CA-C-O 120.605 0.24 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 98.25 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.446 1.761 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.482 HG21 HD11 ' A' ' 31' ' ' LEU . 6.1 m -76.88 136.88 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.49 HD11 HD23 ' A' ' 13' ' ' LEU . 8.4 pt -122.8 151.11 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.13 136.85 32.79 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.782 HD12 ' CD2' ' A' ' 55' ' ' HIS . 0.6 OUTLIER -140.44 -47.14 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.782 ' CD2' HD12 ' A' ' 54' ' ' ILE . 88.5 m-70 -107.91 153.17 23.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.728 HG22 ' CZ ' ' A' ' 10' ' ' TYR . 7.4 p -158.05 107.6 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.433 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.35 139.62 50.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.57 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 1.7 tttt -130.88 119.54 22.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 65' ' ' ALA . 7.7 p90 -145.81 119.4 9.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -88.54 -23.72 23.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.363 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.9 p -97.35 140.95 31.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.462 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.459 ' HA ' ' HB3' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -65.97 -38.54 88.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.62 -44.41 47.32 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.597 1.186 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.72 -30.33 40.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.36 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.492 ' HB2' ' CD1' ' A' ' 59' ' ' PHE . . . -66.91 -54.74 19.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 t -59.77 -38.4 81.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -54.18 49.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.21 -42.84 31.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -67.91 -55.08 14.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.83 -50.53 14.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.56 -46.16 89.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.508 ' CG ' ' HE2' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -56.36 -16.73 6.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 111.06 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -81.61 -34.57 30.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.156 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -94.58 24.29 4.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.596 HD22 ' HB3' ' A' ' 79' ' ' GLN . 22.2 mt -134.04 168.9 17.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -133.87 178.03 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.499 ' N ' ' OG1' ' A' ' 76' ' ' THR . 15.1 ptt180 -48.51 -19.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -95.92 -73.01 0.61 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.596 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -37.99 -38.46 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.707 ' O ' HD12 ' A' ' 84' ' ' LEU . 16.5 mttt -63.06 -53.68 49.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' LYS . 1.2 tp10 -47.54 -51.26 21.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.065 . . . . 0.0 110.336 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -70.45 -49.07 52.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 83' ' ' TYR . 1.1 t80 -41.83 -51.37 4.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.765 HD22 ' CG ' ' A' ' 55' ' ' HIS . 5.1 mp -75.23 -26.45 58.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' GLN . 19.3 tttt -57.97 -57.96 10.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -46.34 -34.37 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -80.81 -37.11 30.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -12.49 61.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.599 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -73.56 -46.93 44.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.219 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.477 ' CB ' ' HG2' ' A' ' 26' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 5' ' ' LYS . 2.1 tptm 67.19 142.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -39.25 115.48 0.5 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER 160.78 126.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -82.34 98.8 9.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.586 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 58' ' ' LYS . 35.4 m-85 -93.21 112.59 24.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -87.38 117.78 26.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -126.93 138.97 53.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.1 t -109.8 138.52 37.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.776 HD22 ' HB ' ' A' ' 51' ' ' VAL . 97.2 mt -114.31 127.03 55.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.04 HD23 HD11 ' A' ' 52' ' ' ILE . 0.3 OUTLIER -110.68 120.44 42.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.573 ' O ' HD12 ' A' ' 13' ' ' LEU . 27.5 m -97.68 -159.86 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 108.274 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -95.44 -19.6 19.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.173 . . . . 0.0 110.316 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -100.01 35.58 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 45.19 54.6 7.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.592 1.182 . . . . 0.0 111.041 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.1 m -107.73 100.6 9.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.047 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -88.86 117.11 27.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.3 92.22 3.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.77 128.59 9.55 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.03 144.18 9.81 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 23' ' ' TYR . 51.5 p90 -108.37 126.85 53.33 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.491 0.759 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -167.23 169.99 12.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.408 1.068 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.5 p -98.37 142.06 30.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 3' ' ' ASN . 48.4 mt-10 52.79 72.06 1.27 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.203 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 -35.07 3.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -43.1 -49.56 6.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -70.8 -53.95 13.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.42 -40.67 37.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.36 -58.21 9.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.406 1.067 . . . . 0.0 109.276 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' GLU . 20.2 m -42.61 -57.24 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.409 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -38.74 -56.67 1.31 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 110.348 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.463 ' CG ' ' N ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -46.22 -65.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.463 ' N ' ' CG ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -53.54 -22.0 7.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.069 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -100.19 26.06 6.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.064 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.425 1.078 . . . . 0.0 111.103 -179.908 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.5 ' HG3' HG13 ' A' ' 51' ' ' VAL . 11.2 ptp180 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 93.48 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.565 1.824 . . . . 0.0 111.009 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.776 ' HB ' HD22 ' A' ' 12' ' ' LEU . 34.4 m -79.3 114.92 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 1.04 HD11 HD23 ' A' ' 13' ' ' LEU . 4.2 pt -109.63 147.02 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.242 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -93.1 113.94 26.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.954 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.4 HD13 ' CD2' ' A' ' 55' ' ' HIS . 1.4 pp -120.59 5.31 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 1.178 ' CE1' HD13 ' A' ' 84' ' ' LEU . 64.0 m-70 -141.32 155.45 45.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.584 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 55' ' ' HIS . 13.3 p -157.88 110.9 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.445 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -135.37 150.08 49.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 2.2 ttpp -139.19 124.47 19.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.466 ' CZ ' ' HG2' ' A' ' 57' ' ' GLU . 30.8 m-85 -125.33 131.5 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -111.24 -27.79 8.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.38 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.9 p -93.03 144.52 25.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -36.0 69.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.268 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 66' ' ' THR . 39.5 m -54.39 -48.08 71.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.968 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -69.18 -44.56 71.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.4 -61.98 1.56 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 63' ' ' SER . 9.0 t -57.75 -30.82 65.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.471 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -43.73 86.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.405 1.065 . . . . 0.0 109.222 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.93 -38.39 72.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -60.29 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.222 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.26 -43.08 10.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.474 ' HA ' ' CD ' ' A' ' 74' ' ' LYS . . . -66.62 -47.61 72.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.67 -21.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -90.92 -29.46 17.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.474 ' CD ' ' HA ' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -94.79 23.54 5.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.247 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 79' ' ' GLN . 31.2 mt -138.76 168.97 18.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.62 1.2 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.704 HG23 ' H ' ' A' ' 78' ' ' LYS . 3.9 t -145.48 179.7 7.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -38.98 -27.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.704 ' H ' HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -96.62 -74.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.618 1.199 . . . . 0.0 109.328 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.47 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.9 OUTLIER -33.58 -37.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 1.099 . . . . 0.0 110.348 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.631 ' O ' HD12 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -66.85 -64.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -37.35 -34.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 110.215 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -82.98 -50.75 8.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 83' ' ' TYR . 1.1 t80 -40.03 -35.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 1.178 HD13 ' CE1' ' A' ' 55' ' ' HIS . 3.9 mp -87.99 -38.43 15.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 82' ' ' GLN . 0.4 OUTLIER -55.13 -57.95 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.418 ' HA ' HD12 ' A' ' 89' ' ' LEU . 9.2 t -46.45 -33.31 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.461 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -83.62 -44.79 14.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -61.19 -45.37 94.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.61 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 86' ' ' THR . 14.0 mt -47.86 -64.43 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.518 ' HB3' ' CB ' ' A' ' 26' ' ' GLU . 1.1 p30 . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.501 ' N ' ' CG ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER 67.53 66.09 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt 67.92 149.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m 77.64 96.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.57 1.169 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -82.51 130.92 35.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.629 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.571 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 10.3 m-85 -108.86 133.36 52.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -103.52 118.81 37.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 111.036 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -120.24 137.35 54.27 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.02 91.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.94 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.29 144.66 31.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.693 ' N ' HD22 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -113.3 139.12 49.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -94.34 162.49 13.81 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 108.281 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -56.26 -48.55 76.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.372 1.045 . . . . 0.0 110.211 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -28.18 46.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.26 49.2 1.07 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.43 1.082 . . . . 0.0 110.948 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.29 115.48 30.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -86.63 104.66 16.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.998 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -135.38 147.31 49.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.8 170.48 42.37 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.14 163.76 32.1 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.619 ' CG ' ' HB1' ' A' ' 65' ' ' ALA . 19.4 p90 -103.18 134.21 46.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 0.786 . . . . 0.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -167.45 -179.9 4.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.28 130.96 56.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.623 1.202 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.518 ' CB ' ' HB3' ' A' ' 3' ' ' ASN . 0.0 OUTLIER 71.33 68.08 0.36 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -28.09 9.37 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.432 1.753 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.49 -48.53 74.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.587 1.18 . . . . 0.0 110.244 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -49.29 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.209 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -34.59 60.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.169 . . . . 0.0 110.243 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.4 tp -72.72 -61.87 1.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -47.99 -55.03 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.427 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.79 -60.81 1.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.375 1.047 . . . . 0.0 110.325 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -43.45 -56.07 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.601 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.94 -52.38 50.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.89 42.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 110.046 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 146.72 33.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.854 ' HB ' HD23 ' A' ' 12' ' ' LEU . 5.1 m -129.18 110.14 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.579 HG12 HD22 ' A' ' 13' ' ' LEU . 7.4 pt -108.27 141.12 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.5 mtt -108.24 115.76 30.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.577 HD13 ' H ' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -105.39 -13.64 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.753 ' CD2' HD22 ' A' ' 84' ' ' LEU . 49.8 m80 -118.94 153.65 34.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 55' ' ' HIS . 5.6 p -159.04 109.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.442 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -128.4 153.21 47.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 8' ' ' TYR . 3.5 mtmt -127.1 128.71 46.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.585 1.178 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -127.08 123.08 36.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.583 ' HG3' HG23 ' A' ' 61' ' ' THR . 4.6 pt-20 -87.79 -12.14 45.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.08 . . . . 0.0 110.299 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.583 HG23 ' HG3' ' A' ' 60' ' ' GLU . 77.1 p -125.92 165.07 19.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 110.425 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -85.37 -44.21 12.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.575 1.172 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 m -43.35 -48.4 6.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.052 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -51.59 64.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.63 1.206 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.619 ' HB1' ' CG ' ' A' ' 23' ' ' TYR . . . -47.41 -59.62 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.4 t -61.37 -38.86 88.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -54.96 -49.87 70.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.56 -44.11 72.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -55.48 -55.84 27.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.24 -62.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.5 -53.04 62.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.519 ' CG ' ' HE2' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -43.64 -51.82 6.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.934 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -48.13 -38.27 17.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.586 1.179 . . . . 0.0 109.356 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -28.14 36.39 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.66 HD22 ' HB3' ' A' ' 79' ' ' GLN . 35.7 mt -79.97 152.36 29.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.856 HG23 ' H ' ' A' ' 78' ' ' LYS . 8.9 t -114.13 -169.06 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.319 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.43 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.4 OUTLIER -61.61 -11.9 13.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.856 ' H ' HG23 ' A' ' 76' ' ' THR . 8.3 mmtt -100.11 -75.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.66 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -34.77 -42.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.274 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.559 ' O ' HD12 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -63.78 -63.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 80' ' ' LYS . 3.5 tp10 -38.29 -53.15 1.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 110.352 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' LYS . 3.3 mm100 -69.91 -55.85 8.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.615 ' O ' HG22 ' A' ' 86' ' ' THR . 2.9 t80 -35.42 -53.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.753 HD22 ' CD2' ' A' ' 55' ' ' HIS . 2.3 mp -68.86 -42.73 76.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.371 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 82' ' ' GLN . 0.2 OUTLIER -50.25 -50.1 51.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 83' ' ' TYR . 0.8 OUTLIER -43.7 -38.1 2.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -85.63 -27.47 25.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LYS . 13.8 t-80 -63.82 -36.88 85.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 89' ' ' LEU . 3.8 mm? -44.6 -63.29 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.584 ' ND2' ' CD2' ' A' ' 8' ' ' TYR . 1.1 m120 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -122.7 44.22 2.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.88 145.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.559 ' O ' HG21 ' A' ' 25' ' ' THR . 15.9 p 64.94 -157.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -128.47 128.53 44.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 109.589 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.584 ' CD2' ' ND2' ' A' ' 3' ' ' ASN . 9.2 m-85 -119.92 127.17 52.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 111.057 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -86.76 122.04 30.1 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.615 1.197 . . . . 0.0 111.06 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.421 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 8.7 p90 -124.15 149.84 45.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 11' ' ' VAL . 20.4 t -110.86 91.3 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.652 HD22 ' HB ' ' A' ' 51' ' ' VAL . 42.2 mt -76.65 122.21 24.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.61 HD23 ' C ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -109.98 138.3 46.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.47 -178.93 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 1.06 . . . . 0.0 108.323 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -62.11 -31.31 71.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -61.52 -16.71 50.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.49 32.07 55.55 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 m -100.12 146.61 26.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 110.035 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -99.13 107.43 19.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -95.2 104.43 16.32 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.19 109.03 3.25 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -120.21 162.91 14.09 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.54 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 29.9 p90 -135.37 99.76 4.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.575 0.809 . . . . 0.0 111.019 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.617 HG23 ' N ' ' A' ' 25' ' ' THR . 0.5 OUTLIER -166.58 179.93 5.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.617 ' N ' HG23 ' A' ' 24' ' ' THR . 28.1 p -135.13 129.36 33.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.404 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 3' ' ' ASN . 0.7 OUTLIER 77.75 71.61 0.19 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -19.81 17.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.444 1.76 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.439 ' O ' HG22 ' A' ' 32' ' ' THR . 10.6 mt-10 -51.85 -56.53 13.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.586 1.179 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.47 ' HA ' ' CG2' ' A' ' 32' ' ' THR . 5.9 ptt180 -76.0 -25.12 55.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -70.17 -39.71 75.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.32 -62.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 29' ' ' ARG . 2.4 t -48.57 -33.37 9.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.463 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -44.08 -64.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -77.13 -48.38 17.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.608 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -43.69 -59.08 2.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -51.11 -48.56 61.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.592 1.183 . . . . 0.0 111.024 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 168.81 23.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.652 ' HB ' HD22 ' A' ' 12' ' ' LEU . 5.3 m -140.5 86.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -104.12 147.67 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.41 ' O ' ' HG2' ' A' ' 53' ' ' MET . 0.0 OUTLIER -120.42 130.74 54.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.537 HD13 ' H ' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -119.81 -8.94 11.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.602 ' NE2' ' CG ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -115.5 97.46 6.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.575 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 p -100.49 123.06 44.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 110.432 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.28 148.82 42.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -128.79 155.36 45.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 68' ' ' ALA . 43.7 m-85 -165.48 134.23 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -107.4 -19.2 13.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.546 1.153 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.3 p -108.49 145.27 34.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.078 . . . . 0.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.0 -43.32 65.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.249 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -51.27 -37.26 46.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.6 1.187 . . . . 0.0 110.027 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -82.63 -47.26 12.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.365 1.041 . . . . 0.0 110.358 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.71 -43.66 72.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.46 1.1 . . . . 0.0 109.233 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 t -71.52 -42.63 67.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.5 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.95 -55.3 36.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.363 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.602 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . . . -49.9 -41.92 46.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -54.44 46.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.36 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.17 -51.51 24.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.99 -53.65 54.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.393 1.058 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.497 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 1.3 t80 -58.42 -16.86 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -86.0 -19.77 29.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.226 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -93.6 -36.08 12.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.821 HD22 ' HG2' ' A' ' 79' ' ' GLN . 76.4 mt -61.56 166.44 4.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.737 HG23 ' H ' ' A' ' 78' ' ' LYS . 7.9 t -136.59 -171.38 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.455 ' N ' ' OG1' ' A' ' 76' ' ' THR . 4.0 ptt180 -53.8 -18.52 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.737 ' H ' HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -84.55 -75.27 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.821 ' HG2' HD22 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -42.34 -52.99 4.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 110.204 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -54.13 -49.72 68.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.601 1.188 . . . . 0.0 109.407 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -59.53 -20.71 57.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -71.99 -43.85 64.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.211 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.602 ' CG ' ' NE2' ' A' ' 55' ' ' HIS . 0.8 OUTLIER -64.23 -35.49 80.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.958 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 54' ' ' ILE . 2.0 mm? -60.25 -52.97 63.04 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.91 -65.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.442 HG22 ' HA ' ' A' ' 83' ' ' TYR . 1.0 OUTLIER -39.65 -33.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.43 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.436 ' CB ' ' O ' ' A' ' 83' ' ' TYR . 34.6 t80 -84.23 -49.51 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.376 1.048 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.0 -32.56 2.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.576 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.53 -60.68 2.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 4.6 pt-20 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.435 ' CB ' ' HB ' ' A' ' 25' ' ' THR . 1.1 m120 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 2.0 ttpt -140.99 33.95 1.75 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.411 1.069 . . . . 0.0 109.376 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' O ' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER -161.08 157.7 26.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.497 ' O ' ' CG2' ' A' ' 25' ' ' THR . 7.4 m 54.81 -167.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.05 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -130.43 112.72 13.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.594 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.519 ' CE2' ' HB3' ' A' ' 58' ' ' LYS . 10.1 m-85 -91.15 128.24 36.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 9.7 t80 -91.54 116.05 28.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.541 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 36.5 p90 -131.16 124.57 30.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 t -96.49 138.74 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 12' ' ' LEU . 1.7 mm? -111.11 146.9 36.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.552 HD22 HG12 ' A' ' 52' ' ' ILE . 2.3 tt -116.17 147.25 41.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 109.243 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.4 m -115.16 -178.8 3.46 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.081 . . . . 0.0 108.195 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -58.07 -64.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -48.49 -29.51 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.227 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.45 35.36 3.35 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.98 162.13 27.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -121.82 122.47 39.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -151.21 103.39 3.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.18 168.42 12.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.55 168.61 29.16 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.541 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 38.8 p90 -119.99 107.58 13.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 25' ' ' THR . 0.7 OUTLIER -166.18 179.2 5.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.432 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 6' ' ' SER . 13.7 p -124.72 128.06 48.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 77.75 70.97 0.19 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -30.44 7.1 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.479 1.779 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -44.32 -47.7 9.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.407 ' O ' HG22 ' A' ' 32' ' ' THR . 8.8 mtp180 -71.28 -54.31 11.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -50.66 -40.03 52.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.58 1.175 . . . . 0.0 110.273 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.24 -61.33 2.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 29' ' ' ARG . 3.3 t -63.07 -23.31 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.408 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.55 -21.89 65.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.86 -23.52 16.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.552 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -91.87 15.69 12.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 t -85.78 -54.18 4.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.948 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 O-C-N 124.402 1.064 . . . . 0.0 110.9 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.3 Cg_endo -74.93 118.05 5.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.446 1.761 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.467 ' HB ' HD12 ' A' ' 12' ' ' LEU . 18.8 m -140.07 118.35 10.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.552 HG12 HD22 ' A' ' 13' ' ' LEU . 4.8 pt -110.74 154.46 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.6 mtt -99.91 109.51 21.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.58 HD13 ' H ' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -106.72 -13.01 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 1.163 ' CE1' HD13 ' A' ' 84' ' ' LEU . 67.4 m-70 -126.95 152.31 47.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 55' ' ' HIS . 10.3 p -158.09 113.07 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -146.49 157.87 43.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.077 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.88 133.55 37.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 9' ' ' PHE . 10.6 m-85 -128.38 118.79 23.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -76.12 -36.75 58.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 77.8 p -101.27 156.89 17.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.377 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -39.62 18.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 m -46.35 -44.71 17.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.972 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -75.42 -36.79 60.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.26 -53.05 62.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.224 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 t -64.47 -31.03 72.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.421 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -69.79 -39.47 76.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.02 -29.63 70.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.35 -52.0 15.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 110.24 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.41 -44.43 17.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' LYS . . . -64.26 -51.8 61.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.08 -25.47 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -73.98 -38.71 64.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' ALA . 40.3 mtmt -81.15 -44.46 17.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.535 ' CD1' ' CD2' ' A' ' 83' ' ' TYR . 62.1 mt -54.25 163.94 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -130.08 179.39 5.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 110.457 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.532 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.2 OUTLIER -47.11 -20.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.437 ' N ' ' C ' ' A' ' 76' ' ' THR . 19.6 tttt -97.23 -73.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.521 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -37.53 -33.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -68.98 -67.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.34 -42.5 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -78.09 -55.8 4.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.535 ' CD2' ' CD1' ' A' ' 75' ' ' LEU . 1.2 t80 -37.2 -37.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 1.163 HD13 ' CE1' ' A' ' 55' ' ' HIS . 1.8 mp -88.69 -55.54 3.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -46.69 -50.86 17.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -42.62 -29.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -98.84 -47.41 5.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -55.77 -45.19 78.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.538 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -41.22 -68.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.249 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.533 0.206 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -54.59 -175.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 1.8 m120 59.81 76.21 0.37 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 1.8 tttt 163.19 83.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt 45.19 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.51 ' O ' HG22 ' A' ' 25' ' ' THR . 6.9 p 61.73 131.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -82.8 99.49 9.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 2' ' ' GLU . 95.6 m-85 -78.6 121.02 24.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.546 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 59.3 t80 -102.34 113.17 26.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -122.45 132.75 54.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.9 t -114.05 113.44 43.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.584 HD21 ' HE3' ' A' ' 53' ' ' MET . 13.2 mt -91.13 154.43 19.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.877 HD23 HD11 ' A' ' 52' ' ' ILE . 1.8 tp -142.29 127.1 18.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.102 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' N ' HD12 ' A' ' 13' ' ' LEU . 20.7 p -109.52 -178.48 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 108.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -8.5 52.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -100.58 18.76 18.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 46.69 65.15 2.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -118.82 102.85 9.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 0.774 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -85.23 101.61 12.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.01 93.53 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.12 115.67 5.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.86 147.91 19.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.422 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 36.8 p90 -118.42 117.18 28.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.764 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.5 HG23 ' N ' ' A' ' 25' ' ' THR . 0.6 OUTLIER -167.31 179.99 4.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 6' ' ' SER . 73.5 p -111.6 137.38 49.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.407 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' CG ' ' HA ' ' A' ' 3' ' ' ASN . 11.0 mt-10 67.59 63.73 0.71 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 26' ' ' GLU . 18.4 Cg_endo -75.01 -24.43 12.81 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.02 -42.66 85.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.41 -40.06 30.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -66.73 -31.15 71.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tp -72.01 -71.84 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -40.24 -41.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -52.57 -58.11 7.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -50.05 -57.97 6.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.566 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -49.98 -56.53 10.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.94 41.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.043 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.41 -63.71 0.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.4 m -52.93 -64.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 40' ' ' ALA . . . -171.73 127.96 1.51 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 39' ' ' GLY . . . -179.3 166.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.6 -73.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -149.45 94.53 2.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.9 m -153.37 92.91 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -80.31 -58.05 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.49 -56.58 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.65 100.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -87.63 -67.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -45.02 140.27 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.93 84.27 0.21 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 146.17 32.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.77 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.7 m -122.97 115.77 46.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.877 HD11 HD23 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -116.71 151.12 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.584 ' HE3' HD21 ' A' ' 12' ' ' LEU . 1.4 ttm -116.75 118.99 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.655 HD13 ' H ' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -113.27 -12.6 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.753 ' HB3' HD22 ' A' ' 84' ' ' LEU . 40.2 m80 -125.82 137.18 53.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.572 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 55' ' ' HIS . 3.0 p -152.84 105.26 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -160.88 151.26 17.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.79 164.29 19.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 9' ' ' PHE . 5.4 m-85 -122.61 139.73 53.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -89.27 -48.45 7.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.5 p -97.73 169.23 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.473 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.412 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -83.52 -41.24 18.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.264 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -43.66 -65.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' ALA . 60.8 mt-10 -54.45 -36.35 63.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -63.81 -69.8 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.1 t -48.45 -24.37 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.422 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -84.83 -37.5 20.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 64' ' ' GLU . . . -63.6 -33.35 75.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.86 -38.96 27.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.96 -62.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.26 80.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.549 ' CD2' ' HE2' ' A' ' 80' ' ' LYS . 2.0 t80 -65.15 -9.81 25.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.59 -26.42 21.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -49.89 5.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' A' ' 79' ' ' GLN . 32.9 mt -54.6 165.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.783 HG23 ' H ' ' A' ' 78' ' ' LYS . 8.0 t -118.41 -172.05 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.455 ' N ' ' OG1' ' A' ' 76' ' ' THR . 4.9 ptt85 -59.06 -13.34 6.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.783 ' H ' HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -91.85 -75.02 0.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.79 ' HB3' HD22 ' A' ' 75' ' ' LEU . 4.6 mt-30 -40.78 -38.63 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.691 ' O ' HD12 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -63.53 -51.63 64.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -48.04 -55.98 8.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -51.06 47.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.534 ' O ' HG22 ' A' ' 86' ' ' THR . 1.8 t80 -37.32 -39.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.753 HD22 ' HB3' ' A' ' 55' ' ' HIS . 4.6 mp -89.9 -47.46 7.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -48.61 39.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 83' ' ' TYR . 8.7 t -50.69 -31.25 15.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.372 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -89.56 -38.92 13.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -60.1 -48.46 81.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.623 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 86' ' ' THR . 9.1 mt -43.54 -62.21 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -79.59 -178.95 6.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.62 88.05 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.595 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -138.82 109.97 6.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.588 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.23 139.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.573 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 62.51 126.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.6 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 57.84 175.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.601 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.4 t60 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.642 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.518 0.199 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.469 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 1.4 mm-40 -99.19 -171.6 2.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.411 ' ND2' ' N ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER -103.84 101.65 11.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -113.03 136.04 53.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.712 ' O ' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER 56.48 167.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.3 m 80.17 -150.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 109.965 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -140.98 120.56 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.518 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.478 ' HB2' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER -119.74 127.07 52.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.412 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 9.7 t80 -84.18 115.75 22.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.563 ' CE1' ' HA3' ' A' ' 22' ' ' GLY . 40.3 p90 -120.72 115.74 23.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.629 1.206 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 55' ' ' HIS . 2.7 t -93.19 155.49 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.401 ' CD2' ' CD2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -149.79 121.34 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.528 HD23 ' C ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -93.7 144.18 25.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.02 170.64 7.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 108.328 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -52.49 -49.9 63.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.67 -25.95 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.37 33.77 5.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 m -81.8 176.3 9.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 0.0 110.014 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -142.96 106.71 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -119.11 129.7 55.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.96 130.85 8.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.382 1.051 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.563 ' HA3' ' CE1' ' A' ' 10' ' ' TYR . . . -114.51 160.47 13.17 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.52 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 18.1 p90 -110.51 96.0 5.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -166.94 171.48 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.409 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.712 HG21 ' O ' ' A' ' 5' ' ' LYS . 72.2 p -122.54 130.63 53.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.469 ' CG ' ' HB3' ' A' ' 2' ' ' GLU . 0.1 OUTLIER 73.97 68.05 0.27 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.313 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -12.43 21.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.44 -58.74 6.52 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 4.1 ptm180 -66.56 -34.3 77.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.403 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 51.0 ttt180 -65.53 -45.66 82.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 tp -53.32 -64.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 t -51.63 -36.84 47.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.4 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.87 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -44.48 -45.67 9.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.649 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -47.96 -62.97 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.22 -56.78 7.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.45 157.88 7.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.557 1.16 . . . . 0.0 111.045 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.0 m -157.88 -56.79 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 110.425 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -176.37 86.54 0.07 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -155.36 169.11 24.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 0.723 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' THR . 17.4 ttmt -120.61 140.76 51.07 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 66.39 -68.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 43' ' ' THR . 4.4 m -75.39 67.27 1.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.386 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.59 -57.64 2.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -109.02 32.33 5.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 109.364 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.77 113.13 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -103.19 -55.5 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.81 169.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.5 95.82 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 168.15 25.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.56 1.821 . . . . 0.0 111.039 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.7 m -141.78 110.49 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 pt -108.91 133.2 54.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.477 ' O ' HG23 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -78.7 134.0 37.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 111.051 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.854 ' O ' HD21 ' A' ' 84' ' ' LEU . 1.4 pp -152.65 41.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.47 ' CB ' ' HB ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER 174.16 101.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.641 1.213 . . . . 0.0 109.594 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.7 p -121.26 126.36 49.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -138.16 158.88 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -126.86 143.89 51.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 68' ' ' ALA . 17.6 m-85 -136.82 99.29 3.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.635 ' HG3' HG23 ' A' ' 61' ' ' THR . 2.8 pt-20 -68.44 -29.52 68.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.635 HG23 ' HG3' ' A' ' 60' ' ' GLU . 11.5 p -123.94 159.35 29.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.2 ptt-85 -70.39 -26.68 63.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.493 ' O ' HG22 ' A' ' 66' ' ' THR . 2.9 m -57.58 -57.28 13.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 109.968 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -60.35 -46.14 90.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.605 1.191 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -43.11 -65.52 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 63' ' ' SER . 8.0 t -58.86 -28.4 66.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.414 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -66.77 -59.18 3.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 59' ' ' PHE . . . -57.31 -30.85 65.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -57.27 5.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.99 -45.63 31.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.51 -56.14 13.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.529 ' CD2' ' HE2' ' A' ' 80' ' ' LYS . 3.6 t80 -50.55 -51.26 49.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -57.57 -23.54 51.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.23 -34.4 23.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.813 HD22 ' HB3' ' A' ' 79' ' ' GLN . 80.0 mt -69.6 153.89 42.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.851 HG23 ' H ' ' A' ' 78' ' ' LYS . 9.8 t -116.69 -165.53 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 110.401 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.449 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.0 OUTLIER -63.25 -12.1 26.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.581 1.176 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.851 ' H ' HG23 ' A' ' 76' ' ' THR . 7.7 mttt -90.94 -74.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.214 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.813 ' HB3' HD22 ' A' ' 75' ' ' LEU . 9.1 mp0 -39.98 -50.25 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.529 ' HE2' ' CD2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -54.23 -54.47 39.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -52.34 -26.45 12.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.664 ' O ' HG23 ' A' ' 86' ' ' THR . 0.1 OUTLIER -68.04 -46.23 71.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -58.21 -39.41 78.95 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.854 HD21 ' O ' ' A' ' 54' ' ' ILE . 3.5 mm? -58.43 -50.51 73.44 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 88' ' ' HIS . 0.1 OUTLIER -61.04 -62.94 1.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 82' ' ' GLN . 43.6 p -38.86 -33.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.39 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -83.75 -44.22 14.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' LYS . 7.7 t60 -56.55 -42.45 78.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.549 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 86.2 mt -51.29 -66.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.367 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.98 71.94 10.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.526 ' CD2' ' HB2' ' A' ' 93' ' ' HIS . 60.6 t60 -70.89 -63.25 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.593 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.0 t60 47.79 61.76 2.8 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.407 1.067 . . . . 0.0 109.615 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.526 ' HB2' ' CD2' ' A' ' 91' ' ' HIS . 2.2 t-80 -118.42 150.11 40.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 109.583 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -159.5 146.1 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.596 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -106.35 137.93 43.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.589 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.5 t60 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 0.0 109.584 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.542 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 26.2 mtt . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.4 0.143 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.428 ' HA ' ' CG ' ' A' ' 8' ' ' TYR . 2.6 mp0 -58.5 -169.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.607 1.192 . . . . 0.0 110.236 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.498 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 1.2 m-20 67.28 152.48 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 0.4 OUTLIER 85.51 178.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' LYS . 14.6 mttt -52.1 -176.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.422 1.076 . . . . 0.0 109.225 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 p 66.51 138.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -84.15 125.78 32.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.571 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.542 ' CZ ' ' O ' ' A' ' 1' ' ' MET . 11.7 m-85 -108.43 129.65 55.26 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.689 ' HE1' HG22 ' A' ' 11' ' ' VAL . 2.8 t80 -110.8 118.58 36.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.945 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.489 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 54.4 p90 -114.72 126.1 54.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.689 HG22 ' HE1' ' A' ' 9' ' ' PHE . 16.2 t -106.45 91.48 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.228 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.791 ' C ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -93.77 143.32 26.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.417 HD22 ' CD1' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -108.77 140.65 41.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.5 m -92.87 161.26 14.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.385 1.053 . . . . 0.0 108.311 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.94 -57.23 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.43 -42.19 61.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.09 42.64 0.51 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.28 116.58 29.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 0.78 . . . . 0.0 109.913 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CE1' ' HG3' ' A' ' 77' ' ' ARG . 12.5 m-85 -85.81 102.43 13.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -113.9 128.44 56.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.448 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . -116.59 136.46 12.82 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.61 123.59 3.58 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.594 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 44.7 p90 -106.87 104.01 13.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -167.39 -179.88 4.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 p -104.17 135.44 45.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.487 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.498 ' CG ' ' HA ' ' A' ' 3' ' ' ASN . 35.1 mt-10 58.92 63.99 3.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.405 1.065 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 26' ' ' GLU . 18.3 Cg_endo -75.0 -29.89 7.75 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.451 1.764 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -46.41 -49.86 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -74.41 -51.5 14.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -48.69 -46.59 40.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.236 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -60.29 4.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.1 m -44.36 -55.1 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.607 1.192 . . . . 0.0 110.353 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -42.07 -58.19 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -47.57 -59.44 3.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.584 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.76 -60.66 1.29 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.398 1.061 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 t -45.37 -57.25 4.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.056 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.5 -138.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.557 1.16 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.2 m 60.57 98.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.411 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.51 81.44 1.03 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.15 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.46 -59.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.399 0.705 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -126.6 131.86 51.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -60.16 102.86 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.9 t -169.0 119.41 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.347 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -97.36 -54.28 3.2 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -63.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.197 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.87 86.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.379 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.37 19.95 16.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 109.216 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -107.72 153.09 23.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 0.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.87 85.46 0.12 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.078 . . . . 0.0 110.338 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 161.27 38.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.551 1.817 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.411 HG12 HD23 ' A' ' 12' ' ' LEU . 33.6 m -128.4 123.12 59.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.417 ' CD1' HD22 ' A' ' 13' ' ' LEU . 3.1 pt -113.89 133.04 61.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.4 mtt -100.57 117.47 34.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.612 HD13 ' H ' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -115.57 7.04 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 1.047 ' CE1' HD13 ' A' ' 84' ' ' LEU . 62.2 m-70 -143.69 150.67 39.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.588 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 55' ' ' HIS . 9.7 p -158.42 98.74 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.357 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -114.5 141.23 47.98 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.459 1.1 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.502 ' HB3' ' CE1' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -138.98 108.91 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.364 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -133.8 150.25 51.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -103.72 -12.19 17.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.0 p -99.32 137.94 37.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.589 1.181 . . . . 0.0 110.351 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -75.33 -47.23 28.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.225 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.465 ' O ' HG22 ' A' ' 66' ' ' THR . 2.1 m -42.1 -42.45 2.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -54.43 8.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.97 -56.5 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 63' ' ' SER . 7.7 t -58.43 -40.69 83.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -47.28 83.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.12 -37.59 64.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -52.24 26.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.608 1.193 . . . . 0.0 110.265 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.55 -65.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.56 -51.86 44.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.49 ' CE1' HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -45.84 -52.18 11.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.48 -29.77 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -91.72 -43.14 9.75 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.395 1.059 . . . . 0.0 109.288 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 79' ' ' GLN . 65.7 mt -58.39 163.23 3.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.576 HG23 ' H ' ' A' ' 78' ' ' LYS . 3.6 t -133.26 -176.36 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.354 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.556 ' HG3' ' CE1' ' A' ' 19' ' ' PHE . 35.4 ttm180 -49.93 -19.52 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.576 ' H ' HG23 ' A' ' 76' ' ' THR . 0.1 OUTLIER -98.47 -74.09 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 109.343 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.535 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -33.75 -51.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -52.48 -61.08 2.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.229 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -36.08 -52.52 0.77 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.576 1.172 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.798 ' O ' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -72.94 -61.64 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.457 ' CD1' HD11 ' A' ' 75' ' ' LEU . 22.4 t80 -35.65 -44.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.047 HD13 ' CE1' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -82.9 -56.19 3.96 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 8.6 ttpp -43.25 -49.62 6.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.378 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 82' ' ' GLN . 37.8 p -43.24 -38.35 2.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 110.46 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -94.71 -44.77 7.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -47.22 -42.74 20.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 0.0 109.59 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.9 mp -61.95 -60.84 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.372 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -178.46 2.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -155.76 136.38 13.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.596 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -116.65 170.42 8.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.446 1.091 . . . . 0.0 109.557 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -78.16 138.89 38.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 109.511 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.444 ' CD2' ' CE ' ' A' ' 58' ' ' LYS . 22.1 p-80 -145.34 172.95 12.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.492 1.12 . . . . 0.0 109.559 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -104.42 116.43 32.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.605 1.191 . . . . 0.0 109.644 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.426 ' O ' ' NZ ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.653 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.549 0.214 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -159.31 77.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.25 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.495 ' HB2' ' CA ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -114.56 123.95 50.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -133.55 119.76 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.61 1.194 . . . . 0.0 109.348 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 6' ' ' SER . 11.5 mttt 72.86 152.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.2 p 85.75 -168.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.062 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -135.03 115.26 13.29 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.127 . . . . 0.0 109.634 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.455 ' CE1' ' HB3' ' A' ' 58' ' ' LYS . 1.3 m-85 -103.89 120.75 41.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.448 ' HB3' ' CB ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -82.59 99.12 9.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.696 ' CD1' HG22 ' A' ' 56' ' ' THR . 2.7 m-85 -112.79 101.38 9.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.622 ' O ' HG12 ' A' ' 11' ' ' VAL . 1.7 t -87.95 97.05 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.67 154.3 32.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 13' ' ' LEU . 1.2 tt -112.19 149.32 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.6 OUTLIER -114.35 158.39 21.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.586 1.179 . . . . 0.0 108.288 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -38.15 4.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.21 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.4 -39.32 78.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' CYS . . . 112.47 45.48 0.79 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 p -101.51 135.41 43.06 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.465 0.744 . . . . 0.0 109.967 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -90.84 100.73 13.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -89.11 91.66 8.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.071 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.35 106.62 2.03 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.504 1.128 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -114.63 125.05 6.63 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.555 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 23.7 p90 -109.15 94.6 5.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 0.735 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 25' ' ' THR . 0.7 OUTLIER -167.57 179.12 5.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.495 ' CA ' ' HB2' ' A' ' 3' ' ' ASN . 15.7 p -128.17 123.15 33.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' N ' ' HB2' ' A' ' 3' ' ' ASN . 1.9 tm-20 77.95 74.09 0.17 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -4.49 15.48 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.449 1.763 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -62.92 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -34.12 76.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -67.57 -44.11 79.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mt -58.43 -69.27 0.19 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.1 t -41.56 -39.96 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.56 -61.2 1.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.536 ' CD2' ' N ' ' A' ' 35' ' ' ASN . 1.2 t60 -48.56 -56.33 8.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.645 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.536 ' N ' ' CD2' ' A' ' 34' ' ' HIS . 1.6 m-80 -46.01 -44.44 15.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.05 -50.11 44.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -84.06 -125.35 1.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.0 m 58.89 -87.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 0.0 110.355 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 40' ' ' ALA . . . 147.1 -152.99 25.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.597 1.186 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 39' ' ' GLY . . . 177.77 153.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -59.95 4.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -138.2 -50.21 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.0 p -94.16 121.83 36.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.77 19.47 6.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.608 1.192 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.8 25.26 4.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.5 88.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -110.94 -43.93 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -56.13 87.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -138.63 84.98 17.79 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 67.77 5.8 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 51' ' ' VAL . 32.0 m -79.22 102.21 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.361 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -106.91 155.21 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.27 143.67 26.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.0 pp -148.97 -46.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.965 ' ND1' HD13 ' A' ' 84' ' ' LEU . 15.6 m-70 -115.05 121.05 41.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.558 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.696 HG22 ' CD1' ' A' ' 10' ' ' TYR . 6.0 p -126.67 157.88 37.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 9' ' ' PHE . 2.0 tt0 -169.17 159.03 8.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -138.06 155.97 48.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -159.04 117.26 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.049 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.58 -0.99 57.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.333 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -123.9 143.27 50.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.389 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -50.06 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.693 ' O ' HG22 ' A' ' 66' ' ' THR . 19.6 m -42.96 -67.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.065 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.99 -51.54 40.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.0 -67.01 0.32 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 63' ' ' SER . 10.2 t -52.7 -30.78 34.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.45 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -48.13 70.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.51 -34.72 50.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.81 -60.87 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.7 -30.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.33 -50.63 8.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.559 ' CD2' ' HE2' ' A' ' 80' ' ' LYS . 20.5 t80 -48.55 -50.63 31.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.09 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.12 -23.98 16.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -92.4 -50.1 5.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.597 1.186 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.783 HD22 ' HB3' ' A' ' 79' ' ' GLN . 33.2 mt -52.06 171.17 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.793 HG23 ' H ' ' A' ' 78' ' ' LYS . 8.6 t -138.17 -171.7 3.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.444 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.5 OUTLIER -57.4 -15.29 6.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.34 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.793 ' H ' HG23 ' A' ' 76' ' ' THR . 1.2 tttm -95.18 -75.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.783 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -37.05 -61.03 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.182 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.559 ' HE2' ' CD2' ' A' ' 72' ' ' PHE . 36.0 mttt -42.01 -48.32 4.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.5 ' HA ' ' CE1' ' A' ' 55' ' ' HIS . 15.2 tt0 -47.86 -55.76 9.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 85' ' ' LYS . 3.2 mm100 -71.92 -54.8 8.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 82' ' ' GLN . 2.5 t80 -35.71 -47.39 0.48 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 111.041 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.965 HD13 ' ND1' ' A' ' 55' ' ' HIS . 0.4 OUTLIER -75.41 -43.29 50.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.534 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -54.32 -56.8 14.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 82' ' ' GLN . 42.5 p -40.65 -28.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.382 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.426 ' N ' ' C ' ' A' ' 85' ' ' LYS . 75.1 t80 -98.44 -62.06 1.29 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 111.011 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -40.06 -44.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.383 1.052 . . . . 0.0 109.6 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 85' ' ' LYS . 6.1 mt -40.72 -61.16 0.99 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.89 104.43 4.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -118.23 -62.85 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.669 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.1 m170 66.07 112.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 0.0 109.566 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -46.95 167.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.554 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.0 t60 51.11 96.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.581 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.45 173.0 8.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.567 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.509 0.195 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -158.2 106.59 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.433 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 9.7 m120 59.25 108.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -172.29 130.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 6' ' ' SER . 8.2 pttt -53.14 165.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.466 ' O ' ' CG2' ' A' ' 25' ' ' THR . 0.7 OUTLIER 79.51 -165.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 109.988 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -117.26 128.74 55.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.601 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.519 ' CZ ' ' HG2' ' A' ' 58' ' ' LYS . 2.6 m-85 -109.05 117.72 34.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -92.94 126.66 38.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 27' ' ' PRO . 15.2 p90 -137.77 174.43 10.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.919 HG12 HD11 ' A' ' 54' ' ' ILE . 24.9 t -139.66 127.73 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.521 HD23 HG11 ' A' ' 51' ' ' VAL . 1.9 mp -98.8 139.76 33.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.21 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.775 HD22 HG12 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -127.05 134.96 50.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.4 m -106.63 167.1 10.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -51.41 -34.08 33.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.63 -44.18 87.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.379 1.05 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.13 42.86 0.75 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.425 1.078 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.94 118.01 35.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 0.747 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -98.75 122.02 41.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.47 112.45 15.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.595 1.185 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.22 147.61 21.73 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.57 143.8 9.06 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -116.72 109.69 17.48 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.533 0.784 . . . . 0.0 110.978 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.441 HG23 ' N ' ' A' ' 25' ' ' THR . 0.7 OUTLIER -165.93 -179.8 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.356 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 6' ' ' SER . 46.9 p -117.76 120.6 38.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 110.309 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CG ' ' HA ' ' A' ' 3' ' ' ASN . 1.0 OUTLIER 76.99 72.38 0.2 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 110.233 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 10' ' ' TYR . 18.1 Cg_endo -75.03 -0.73 10.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.502 1.791 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.6 -59.63 2.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 110.36 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 10.9 ptm180 -63.79 -37.24 86.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 1.178 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -69.8 -36.86 76.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 27' ' ' PRO . 12.7 tp -68.6 -64.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 t -45.51 -38.23 6.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.436 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -44.89 -51.21 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -65.71 -49.49 68.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.608 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -56.46 -21.25 24.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 t -109.0 22.45 15.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.175 . . . . 0.0 109.999 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.23 132.35 2.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.558 1.161 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 m -146.11 85.38 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.737 . . . . 0.0 110.39 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.23 55.05 17.19 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.461 1.101 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.98 172.73 15.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 0.772 . . . . 0.0 109.368 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -67.6 162.72 22.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -84.28 160.2 20.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.045 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.3 p -140.98 129.1 22.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 110.421 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -95.37 -19.51 19.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -34.61 62.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 42.55 84.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -54.78 43.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 54.24 98.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.357 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.52 152.71 47.39 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 152.45 41.14 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.444 1.76 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.521 HG11 HD23 ' A' ' 12' ' ' LEU . 21.1 m -136.51 130.25 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.775 HG12 HD22 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -123.4 161.03 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.392 1.057 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 mtm -101.03 126.04 47.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.919 HD11 HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -122.39 -40.04 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.6 ' ND1' HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -107.33 120.85 43.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.568 1.168 . . . . 0.0 109.537 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 p -128.84 148.02 50.85 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.441 1.088 . . . . 0.0 110.396 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.485 ' OE2' ' CE1' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -167.71 132.86 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.519 ' HG2' ' CZ ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -113.85 152.15 31.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 109.393 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.659 ' CZ ' ' CB ' ' A' ' 68' ' ' ALA . 48.5 m-85 -149.45 113.31 5.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -71.18 -46.47 61.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.647 1.217 . . . . 0.0 110.297 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.6 p -100.23 161.52 13.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -79.19 -34.22 43.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 m -52.85 -57.07 11.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.96 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.55 -23.69 66.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 110.242 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.46 -69.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.3 t -49.46 -24.4 2.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -75.34 -45.87 36.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.659 ' CB ' ' CZ ' ' A' ' 59' ' ' PHE . . . -66.9 -31.89 72.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -69.88 -49.93 47.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.83 -43.67 63.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.74 -55.58 18.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -54.24 -25.8 25.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -80.79 -16.03 54.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -6.2 28.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.6 mt -90.42 160.36 16.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.513 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 2.1 t -131.59 -176.36 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.429 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.513 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.0 OUTLIER -50.68 -19.3 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.493 ' H ' HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -84.37 -75.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -42.84 -38.41 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.262 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.475 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -66.62 -58.54 4.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.402 1.063 . . . . 0.0 109.345 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.93 -17.15 21.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.231 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -76.26 -39.47 54.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.394 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.802 ' HD1' HD22 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -73.11 -25.45 60.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.548 1.155 . . . . 0.0 111.046 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.802 HD22 ' HD1' ' A' ' 83' ' ' TYR . 4.5 mm? -70.1 -49.99 45.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -65.61 -58.86 4.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 83' ' ' TYR . 2.0 t -50.26 -23.19 2.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 110.427 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.434 ' CB ' ' O ' ' A' ' 83' ' ' TYR . 32.1 t80 -89.75 -35.52 15.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -49.11 46.94 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 0.0 109.585 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.2 mt -47.68 -58.21 4.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -149.65 140.48 22.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -112.2 -62.85 1.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.578 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 63.89 78.34 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.501 1.126 . . . . 0.0 109.594 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.53 138.47 58.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.637 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -121.89 120.3 34.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.629 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -75.05 115.23 14.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.594 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.605 1.191 . . . . 0.0 109.606 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttt . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 120.489 0.185 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -140.08 179.25 6.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 5' ' ' LYS . 1.1 m120 66.09 -169.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.241 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.76 95.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 3' ' ' ASN . 0.1 OUTLIER -179.87 97.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.73 171.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -97.42 119.34 35.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.478 1.112 . . . . 0.0 109.526 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 58' ' ' LYS . 7.9 m-85 -105.71 103.44 12.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.427 ' HE1' HG22 ' A' ' 11' ' ' VAL . 2.3 t80 -85.23 110.14 18.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.728 ' CZ ' HG22 ' A' ' 56' ' ' THR . 2.2 m-30 -117.71 122.15 42.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.078 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.427 HG22 ' HE1' ' A' ' 9' ' ' PHE . 5.2 t -89.97 104.59 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -81.05 150.04 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -131.6 113.02 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.521 ' O ' HD12 ' A' ' 13' ' ' LEU . 1.6 m -72.08 178.82 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.77 -56.9 4.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 110.389 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.3 -36.76 53.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.25 60.02 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.68 112.43 24.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.975 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -84.88 100.98 11.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.55 101.04 5.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.37 148.15 18.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 111.077 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -158.1 157.64 28.45 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 23' ' ' TYR . 35.7 p90 -104.95 129.36 53.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.485 HG23 ' N ' ' A' ' 25' ' ' THR . 0.6 OUTLIER -167.4 -179.79 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.437 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.485 ' N ' HG23 ' A' ' 24' ' ' THR . 8.9 p -118.75 129.22 55.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.412 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' OE1' ' NE ' ' A' ' 29' ' ' ARG . 0.7 OUTLIER 74.94 69.86 0.23 Allowed Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.578 1.173 . . . . 0.0 110.304 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -0.6 10.18 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.436 1.756 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.55 -63.9 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.435 ' C ' HG22 ' A' ' 32' ' ' THR . 12.0 ptp180 -61.55 -26.77 68.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 33' ' ' GLU . 2.4 ttp180 -68.53 -62.21 1.49 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.482 HD11 HG21 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -41.42 -59.0 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.435 HG22 ' C ' ' A' ' 29' ' ' ARG . 4.8 t -52.36 -37.8 57.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 30' ' ' ARG . 1.3 tt0 -64.09 -66.04 0.6 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 1.178 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -42.31 -63.57 0.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.656 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -44.73 -58.73 2.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 t -49.92 -56.12 11.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.8 129.14 2.59 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.447 1.092 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.1 t -74.56 148.61 40.69 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 0.74 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.06 -134.68 12.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.97 104.15 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 0.724 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.1 149.17 4.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 54.82 173.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.449 HG22 ' H ' ' A' ' 46' ' ' ALA . 51.3 m -79.65 99.28 7.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.67 -55.37 4.41 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 1.142 . . . . 0.0 110.325 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -42.84 -63.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.449 ' H ' HG22 ' A' ' 43' ' ' THR . . . -41.7 124.05 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.373 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -97.07 -58.45 2.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 60.48 155.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 60.12 82.82 0.22 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 98.25 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.446 1.761 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.482 HG21 HD11 ' A' ' 31' ' ' LEU . 6.1 m -76.88 136.88 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.49 HD11 HD23 ' A' ' 13' ' ' LEU . 8.4 pt -122.8 151.11 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.13 136.85 32.79 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.782 HD12 ' CD2' ' A' ' 55' ' ' HIS . 0.6 OUTLIER -140.44 -47.14 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.782 ' CD2' HD12 ' A' ' 54' ' ' ILE . 88.5 m-70 -107.91 153.17 23.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.728 HG22 ' CZ ' ' A' ' 10' ' ' TYR . 7.4 p -158.05 107.6 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.433 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.35 139.62 50.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.57 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 1.7 tttt -130.88 119.54 22.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 65' ' ' ALA . 7.7 p90 -145.81 119.4 9.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -88.54 -23.72 23.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.363 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.9 p -97.35 140.95 31.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.462 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.459 ' HA ' ' HB3' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -65.97 -38.54 88.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.62 -44.41 47.32 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.597 1.186 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.72 -30.33 40.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.36 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.492 ' HB2' ' CD1' ' A' ' 59' ' ' PHE . . . -66.91 -54.74 19.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 t -59.77 -38.4 81.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -54.18 49.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.21 -42.84 31.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -67.91 -55.08 14.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.83 -50.53 14.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.56 -46.16 89.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.508 ' CG ' ' HE2' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -56.36 -16.73 6.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 111.06 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -81.61 -34.57 30.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.156 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -94.58 24.29 4.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.596 HD22 ' HB3' ' A' ' 79' ' ' GLN . 22.2 mt -134.04 168.9 17.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -133.87 178.03 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.499 ' N ' ' OG1' ' A' ' 76' ' ' THR . 15.1 ptt180 -48.51 -19.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -95.92 -73.01 0.61 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.596 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -37.99 -38.46 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.707 ' O ' HD12 ' A' ' 84' ' ' LEU . 16.5 mttt -63.06 -53.68 49.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' LYS . 1.2 tp10 -47.54 -51.26 21.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.065 . . . . 0.0 110.336 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -70.45 -49.07 52.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 83' ' ' TYR . 1.1 t80 -41.83 -51.37 4.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.765 HD22 ' CG ' ' A' ' 55' ' ' HIS . 5.1 mp -75.23 -26.45 58.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' GLN . 19.3 tttt -57.97 -57.96 10.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -46.34 -34.37 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -80.81 -37.11 30.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -12.49 61.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.599 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -73.56 -46.93 44.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -137.4 106.43 5.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.219 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -57.53 151.23 17.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.538 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 40.5 m170 58.73 170.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.594 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -149.92 -60.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.66 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -69.5 150.46 47.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.426 1.079 . . . . 0.0 109.626 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -117.9 -62.73 1.51 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.588 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 109.579 -179.934 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.597 ' O ' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.459 0.171 . . . . 0.0 111.001 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -137.03 174.22 10.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 110.343 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.477 ' CB ' ' HG2' ' A' ' 26' ' ' GLU . 0.9 OUTLIER 71.02 176.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 5' ' ' LYS . 2.1 tptm 67.19 142.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -39.25 115.48 0.5 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER 160.78 126.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -82.34 98.8 9.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.586 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.597 ' CE1' ' O ' ' A' ' 1' ' ' MET . 35.4 m-85 -93.21 112.59 24.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -87.38 117.78 26.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -126.93 138.97 53.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.1 t -109.8 138.52 37.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.776 HD22 ' HB ' ' A' ' 51' ' ' VAL . 97.2 mt -114.31 127.03 55.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.04 HD23 HD11 ' A' ' 52' ' ' ILE . 0.3 OUTLIER -110.68 120.44 42.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.573 ' O ' HD12 ' A' ' 13' ' ' LEU . 27.5 m -97.68 -159.86 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 108.274 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -95.44 -19.6 19.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.173 . . . . 0.0 110.316 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -100.01 35.58 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 45.19 54.6 7.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.592 1.182 . . . . 0.0 111.041 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.1 m -107.73 100.6 9.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.047 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -88.86 117.11 27.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.3 92.22 3.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.77 128.59 9.55 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.03 144.18 9.81 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 23' ' ' TYR . 51.5 p90 -108.37 126.85 53.33 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.491 0.759 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -167.23 169.99 12.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.408 1.068 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.5 p -98.37 142.06 30.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 3' ' ' ASN . 48.4 mt-10 52.79 72.06 1.27 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.203 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 -35.07 3.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -43.1 -49.56 6.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -70.8 -53.95 13.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.42 -40.67 37.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.36 -58.21 9.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.406 1.067 . . . . 0.0 109.276 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' GLU . 20.2 m -42.61 -57.24 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.409 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -38.74 -56.67 1.31 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 110.348 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.463 ' CG ' ' N ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -46.22 -65.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.463 ' N ' ' CG ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -53.54 -22.0 7.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.069 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -100.19 26.06 6.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.064 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.0 150.04 8.92 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.425 1.078 . . . . 0.0 111.103 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.7 m -149.05 -59.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 110.397 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.02 111.54 0.56 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 66.25 107.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 0.79 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.27 152.64 0.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.072 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -157.45 162.67 38.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.6 m 56.34 86.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.461 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.97 -39.72 10.97 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.092 . . . . 0.0 110.19 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.47 -66.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.71 73.66 1.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 109.242 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -40.73 -63.17 0.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -69.15 125.06 25.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.242 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.5 ' HG3' HG13 ' A' ' 51' ' ' VAL . 11.2 ptp180 -122.81 120.32 27.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 110.203 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 93.48 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.565 1.824 . . . . 0.0 111.009 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.776 ' HB ' HD22 ' A' ' 12' ' ' LEU . 34.4 m -79.3 114.92 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 1.04 HD11 HD23 ' A' ' 13' ' ' LEU . 4.2 pt -109.63 147.02 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.242 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -93.1 113.94 26.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.954 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.4 HD13 ' CD2' ' A' ' 55' ' ' HIS . 1.4 pp -120.59 5.31 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 1.178 ' CE1' HD13 ' A' ' 84' ' ' LEU . 64.0 m-70 -141.32 155.45 45.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.584 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 55' ' ' HIS . 13.3 p -157.88 110.9 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.445 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -135.37 150.08 49.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 2.2 ttpp -139.19 124.47 19.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.466 ' CZ ' ' HG2' ' A' ' 57' ' ' GLU . 30.8 m-85 -125.33 131.5 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -111.24 -27.79 8.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.38 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.9 p -93.03 144.52 25.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -36.0 69.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.268 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 66' ' ' THR . 39.5 m -54.39 -48.08 71.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.968 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -69.18 -44.56 71.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.4 -61.98 1.56 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 63' ' ' SER . 9.0 t -57.75 -30.82 65.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.471 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -43.73 86.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.405 1.065 . . . . 0.0 109.222 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.93 -38.39 72.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -60.29 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.222 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.26 -43.08 10.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.474 ' HA ' ' CD ' ' A' ' 74' ' ' LYS . . . -66.62 -47.61 72.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.67 -21.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -90.92 -29.46 17.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.474 ' CD ' ' HA ' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -94.79 23.54 5.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.247 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 79' ' ' GLN . 31.2 mt -138.76 168.97 18.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.62 1.2 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.704 HG23 ' H ' ' A' ' 78' ' ' LYS . 3.9 t -145.48 179.7 7.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -38.98 -27.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.704 ' H ' HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -96.62 -74.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.618 1.199 . . . . 0.0 109.328 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.47 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.9 OUTLIER -33.58 -37.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 1.099 . . . . 0.0 110.348 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.631 ' O ' HD12 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -66.85 -64.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -37.35 -34.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 110.215 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -82.98 -50.75 8.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 83' ' ' TYR . 1.1 t80 -40.03 -35.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.178 HD13 ' CE1' ' A' ' 55' ' ' HIS . 3.9 mp -87.99 -38.43 15.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 82' ' ' GLN . 0.4 OUTLIER -55.13 -57.95 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.418 ' HA ' HD12 ' A' ' 89' ' ' LEU . 9.2 t -46.45 -33.31 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.461 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -83.62 -44.79 14.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -61.19 -45.37 94.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.61 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 86' ' ' THR . 14.0 mt -47.86 -64.43 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -45.97 153.13 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -174.32 149.15 1.33 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 0.0 109.559 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 69.5 104.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.68 -62.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 109.599 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.91 87.5 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.558 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -161.49 160.66 29.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.651 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.614 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.507 ' HA ' ' CZ ' ' A' ' 8' ' ' TYR . 7.8 mtt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.428 0.156 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 3' ' ' ASN . 1.0 OUTLIER 65.51 175.99 0.21 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.518 ' HB3' ' CB ' ' A' ' 26' ' ' GLU . 1.1 p30 -58.86 -153.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.501 ' N ' ' CG ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER 67.53 66.09 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt 67.92 149.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m 77.64 96.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.57 1.169 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -82.51 130.92 35.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.629 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.571 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 10.3 m-85 -108.86 133.36 52.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -103.52 118.81 37.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 111.036 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -120.24 137.35 54.27 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.02 91.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.94 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.29 144.66 31.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.693 ' N ' HD22 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -113.3 139.12 49.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -94.34 162.49 13.81 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 108.281 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -56.26 -48.55 76.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.372 1.045 . . . . 0.0 110.211 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -28.18 46.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.26 49.2 1.07 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.43 1.082 . . . . 0.0 110.948 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.29 115.48 30.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -86.63 104.66 16.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.998 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -135.38 147.31 49.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.8 170.48 42.37 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.14 163.76 32.1 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.619 ' CG ' ' HB1' ' A' ' 65' ' ' ALA . 19.4 p90 -103.18 134.21 46.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 0.786 . . . . 0.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -167.45 -179.9 4.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.28 130.96 56.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.623 1.202 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.518 ' CB ' ' HB3' ' A' ' 3' ' ' ASN . 0.0 OUTLIER 71.33 68.08 0.36 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -28.09 9.37 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.432 1.753 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.49 -48.53 74.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.587 1.18 . . . . 0.0 110.244 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -49.29 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.209 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -34.59 60.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.169 . . . . 0.0 110.243 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.4 tp -72.72 -61.87 1.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -47.99 -55.03 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.427 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.79 -60.81 1.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.375 1.047 . . . . 0.0 110.325 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -43.45 -56.07 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.601 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.94 -52.38 50.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.89 42.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 110.046 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -93.07 -120.37 2.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.4 t -64.33 164.73 10.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -145.71 94.04 0.16 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.27 -50.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.795 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -174.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.461 ' HB3' ' CD1' ' A' ' 45' ' ' LEU . 72.3 m-85 -54.91 -170.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 111.066 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER 175.12 -34.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -20.09 31.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.733 ' C ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -112.52 -14.33 13.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.461 ' N ' HD13 ' A' ' 45' ' ' LEU . . . 46.31 93.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.07 . . . . 0.0 109.402 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -59.06 -63.81 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.24 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 61.45 119.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.38 1.05 . . . . 0.0 110.33 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.6 134.63 22.62 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 0.0 110.246 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 146.72 33.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.854 ' HB ' HD23 ' A' ' 12' ' ' LEU . 5.1 m -129.18 110.14 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.579 HG12 HD22 ' A' ' 13' ' ' LEU . 7.4 pt -108.27 141.12 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.5 mtt -108.24 115.76 30.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.577 HD13 ' H ' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -105.39 -13.64 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.753 ' CD2' HD22 ' A' ' 84' ' ' LEU . 49.8 m80 -118.94 153.65 34.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 55' ' ' HIS . 5.6 p -159.04 109.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.442 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -128.4 153.21 47.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 8' ' ' TYR . 3.5 mtmt -127.1 128.71 46.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.585 1.178 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -127.08 123.08 36.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.583 ' HG3' HG23 ' A' ' 61' ' ' THR . 4.6 pt-20 -87.79 -12.14 45.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.08 . . . . 0.0 110.299 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.583 HG23 ' HG3' ' A' ' 60' ' ' GLU . 77.1 p -125.92 165.07 19.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 110.425 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -85.37 -44.21 12.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.575 1.172 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 m -43.35 -48.4 6.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.052 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -51.59 64.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.63 1.206 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.619 ' HB1' ' CG ' ' A' ' 23' ' ' TYR . . . -47.41 -59.62 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.4 t -61.37 -38.86 88.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -54.96 -49.87 70.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.56 -44.11 72.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -55.48 -55.84 27.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.24 -62.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.5 -53.04 62.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.519 ' CG ' ' HE2' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -43.64 -51.82 6.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.934 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -48.13 -38.27 17.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.586 1.179 . . . . 0.0 109.356 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -28.14 36.39 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.66 HD22 ' HB3' ' A' ' 79' ' ' GLN . 35.7 mt -79.97 152.36 29.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.856 HG23 ' H ' ' A' ' 78' ' ' LYS . 8.9 t -114.13 -169.06 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.319 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.43 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.4 OUTLIER -61.61 -11.9 13.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.856 ' H ' HG23 ' A' ' 76' ' ' THR . 8.3 mmtt -100.11 -75.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.66 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -34.77 -42.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.274 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.559 ' O ' HD12 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -63.78 -63.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 80' ' ' LYS . 3.5 tp10 -38.29 -53.15 1.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 110.352 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' LYS . 3.3 mm100 -69.91 -55.85 8.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.615 ' O ' HG22 ' A' ' 86' ' ' THR . 2.9 t80 -35.42 -53.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.753 HD22 ' CD2' ' A' ' 55' ' ' HIS . 2.3 mp -68.86 -42.73 76.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.371 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 82' ' ' GLN . 0.2 OUTLIER -50.25 -50.1 51.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 83' ' ' TYR . 0.8 OUTLIER -43.7 -38.1 2.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -85.63 -27.47 25.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LYS . 13.8 t-80 -63.82 -36.88 85.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 89' ' ' LEU . 3.8 mm? -44.6 -63.29 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.11 173.12 8.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -145.21 74.87 1.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.567 1.167 . . . . 0.0 109.633 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.585 ' CE1' ' O ' ' A' ' 93' ' ' HIS . 53.2 t60 -79.17 152.13 30.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.406 1.066 . . . . 0.0 109.569 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.585 ' O ' ' CE1' ' A' ' 92' ' ' HIS . 1.7 t-160 -116.67 172.13 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.24 125.71 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.524 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -98.0 -61.14 1.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.594 1.183 . . . . 0.0 109.608 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.665 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtm . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.487 0.184 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 179.37 105.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.601 1.188 . . . . 0.0 110.267 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.584 ' ND2' ' CD2' ' A' ' 8' ' ' TYR . 1.1 m120 -136.32 102.12 4.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -122.7 44.22 2.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.88 145.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.559 ' O ' HG21 ' A' ' 25' ' ' THR . 15.9 p 64.94 -157.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -128.47 128.53 44.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 109.589 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.584 ' CD2' ' ND2' ' A' ' 3' ' ' ASN . 9.2 m-85 -119.92 127.17 52.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 111.057 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -86.76 122.04 30.1 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.615 1.197 . . . . 0.0 111.06 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.421 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 8.7 p90 -124.15 149.84 45.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 11' ' ' VAL . 20.4 t -110.86 91.3 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.652 HD22 ' HB ' ' A' ' 51' ' ' VAL . 42.2 mt -76.65 122.21 24.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.61 HD23 ' C ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -109.98 138.3 46.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.47 -178.93 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 1.06 . . . . 0.0 108.323 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -62.11 -31.31 71.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -61.52 -16.71 50.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.49 32.07 55.55 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 m -100.12 146.61 26.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 110.035 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -99.13 107.43 19.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -95.2 104.43 16.32 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.19 109.03 3.25 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -120.21 162.91 14.09 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.54 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 29.9 p90 -135.37 99.76 4.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.575 0.809 . . . . 0.0 111.019 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.617 HG23 ' N ' ' A' ' 25' ' ' THR . 0.5 OUTLIER -166.58 179.93 5.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.617 ' N ' HG23 ' A' ' 24' ' ' THR . 28.1 p -135.13 129.36 33.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.404 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 3' ' ' ASN . 0.7 OUTLIER 77.75 71.61 0.19 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -19.81 17.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.444 1.76 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' O ' HG22 ' A' ' 32' ' ' THR . 10.6 mt-10 -51.85 -56.53 13.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.586 1.179 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.47 ' HA ' ' CG2' ' A' ' 32' ' ' THR . 5.9 ptt180 -76.0 -25.12 55.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -70.17 -39.71 75.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.32 -62.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 29' ' ' ARG . 2.4 t -48.57 -33.37 9.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.463 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -44.08 -64.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 38' ' ' THR . 17.0 p80 -77.13 -48.38 17.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.608 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -43.69 -59.08 2.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -51.11 -48.56 61.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.53 -89.16 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.592 1.183 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 38' ' ' THR . 12.8 t -108.52 112.37 24.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 0.798 . . . . 0.0 110.468 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.47 -134.89 7.63 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.95 107.18 17.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 0.739 . . . . 0.0 109.355 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 42' ' ' TYR . 1.8 tttt -45.17 167.85 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.627 1.204 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.43 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER 68.97 -59.12 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 111.002 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.5 p -137.83 90.57 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -100.9 -13.71 18.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.82 HD22 ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -99.99 -6.25 26.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' N ' HD13 ' A' ' 45' ' ' LEU . . . -72.75 164.91 25.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.09 -44.47 15.57 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.08 147.2 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.61 1.194 . . . . 0.0 110.302 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.79 138.05 12.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.27 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 168.81 23.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.652 ' HB ' HD22 ' A' ' 12' ' ' LEU . 5.3 m -140.5 86.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -104.12 147.67 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.41 ' O ' ' HG2' ' A' ' 53' ' ' MET . 0.0 OUTLIER -120.42 130.74 54.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.537 HD13 ' H ' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -119.81 -8.94 11.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.602 ' NE2' ' CG ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -115.5 97.46 6.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.575 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 p -100.49 123.06 44.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 110.432 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.28 148.82 42.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -128.79 155.36 45.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 68' ' ' ALA . 43.7 m-85 -165.48 134.23 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -107.4 -19.2 13.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.546 1.153 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.3 p -108.49 145.27 34.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.078 . . . . 0.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.0 -43.32 65.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.249 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -51.27 -37.26 46.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.6 1.187 . . . . 0.0 110.027 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -82.63 -47.26 12.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.365 1.041 . . . . 0.0 110.358 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.71 -43.66 72.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.46 1.1 . . . . 0.0 109.233 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 t -71.52 -42.63 67.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.5 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.95 -55.3 36.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.363 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.602 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . . . -49.9 -41.92 46.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -54.44 46.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.36 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.17 -51.51 24.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.99 -53.65 54.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.393 1.058 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.497 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 1.3 t80 -58.42 -16.86 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -86.0 -19.77 29.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.226 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -93.6 -36.08 12.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.821 HD22 ' HG2' ' A' ' 79' ' ' GLN . 76.4 mt -61.56 166.44 4.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.737 HG23 ' H ' ' A' ' 78' ' ' LYS . 7.9 t -136.59 -171.38 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.455 ' N ' ' OG1' ' A' ' 76' ' ' THR . 4.0 ptt180 -53.8 -18.52 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.737 ' H ' HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -84.55 -75.27 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.821 ' HG2' HD22 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -42.34 -52.99 4.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 110.204 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -54.13 -49.72 68.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.601 1.188 . . . . 0.0 109.407 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -59.53 -20.71 57.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -71.99 -43.85 64.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.211 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.602 ' CG ' ' NE2' ' A' ' 55' ' ' HIS . 0.8 OUTLIER -64.23 -35.49 80.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.958 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 54' ' ' ILE . 2.0 mm? -60.25 -52.97 63.04 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.91 -65.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.442 HG22 ' HA ' ' A' ' 83' ' ' TYR . 1.0 OUTLIER -39.65 -33.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.43 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.436 ' CB ' ' O ' ' A' ' 83' ' ' TYR . 34.6 t80 -84.23 -49.51 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.376 1.048 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.0 -32.56 2.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.576 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.53 -60.68 2.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 4.6 pt-20 -100.51 106.89 18.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -131.49 85.09 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 109.601 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -172.43 80.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.552 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.71 72.41 0.88 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.502 1.126 . . . . 0.0 109.69 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 94' ' ' HIS . 1.5 p80 -81.85 61.34 5.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.612 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.96 72.93 1.4 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.528 1.143 . . . . 0.0 109.615 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.064 . . . . 0.0 109.622 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 mtm . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.434 0.159 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.437 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 3.7 mm-40 -45.67 164.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.435 ' CB ' ' HB ' ' A' ' 25' ' ' THR . 1.1 m120 -104.91 122.93 46.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 2.0 ttpt -140.99 33.95 1.75 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.411 1.069 . . . . 0.0 109.376 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' O ' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER -161.08 157.7 26.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.497 ' O ' ' CG2' ' A' ' 25' ' ' THR . 7.4 m 54.81 -167.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.05 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -130.43 112.72 13.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.594 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.519 ' CE2' ' HB3' ' A' ' 58' ' ' LYS . 10.1 m-85 -91.15 128.24 36.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 9.7 t80 -91.54 116.05 28.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.541 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 36.5 p90 -131.16 124.57 30.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 t -96.49 138.74 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 12' ' ' LEU . 1.7 mm? -111.11 146.9 36.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.552 HD22 HG12 ' A' ' 52' ' ' ILE . 2.3 tt -116.17 147.25 41.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 109.243 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.4 m -115.16 -178.8 3.46 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.081 . . . . 0.0 108.195 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -58.07 -64.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -48.49 -29.51 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.227 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.45 35.36 3.35 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.98 162.13 27.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -121.82 122.47 39.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -151.21 103.39 3.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.18 168.42 12.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.55 168.61 29.16 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.541 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 38.8 p90 -119.99 107.58 13.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 25' ' ' THR . 0.7 OUTLIER -166.18 179.2 5.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.432 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 6' ' ' SER . 13.7 p -124.72 128.06 48.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' CG ' ' HB3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER 77.75 70.97 0.19 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -30.44 7.1 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.479 1.779 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -44.32 -47.7 9.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.407 ' O ' HG22 ' A' ' 32' ' ' THR . 8.8 mtp180 -71.28 -54.31 11.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -50.66 -40.03 52.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.58 1.175 . . . . 0.0 110.273 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.24 -61.33 2.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 29' ' ' ARG . 3.3 t -63.07 -23.31 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.408 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.55 -21.89 65.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.86 -23.52 16.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.552 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -91.87 15.69 12.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 t -85.78 -54.18 4.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.948 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.0 68.67 0.03 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.402 1.064 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.0 p -102.94 128.4 49.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 110.366 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.42 170.05 24.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -170.25 147.68 3.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.576 0.809 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.546 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -105.6 -16.22 14.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 41' ' ' LYS . 1.4 m-85 174.35 72.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.6 m -161.1 -57.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -88.64 13.87 11.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -41.88 -62.53 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.406 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.31 137.68 10.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -60.83 -70.8 0.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.382 1.052 . . . . 0.0 109.295 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? 57.75 38.3 27.38 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.416 1.072 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.4 OUTLIER -73.19 -53.04 5.07 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.24 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.3 Cg_endo -74.93 118.05 5.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.446 1.761 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.467 ' HB ' HD12 ' A' ' 12' ' ' LEU . 18.8 m -140.07 118.35 10.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.552 HG12 HD22 ' A' ' 13' ' ' LEU . 4.8 pt -110.74 154.46 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.6 mtt -99.91 109.51 21.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.58 HD13 ' H ' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -106.72 -13.01 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 1.163 ' CE1' HD13 ' A' ' 84' ' ' LEU . 67.4 m-70 -126.95 152.31 47.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 55' ' ' HIS . 10.3 p -158.09 113.07 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -146.49 157.87 43.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.077 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.88 133.55 37.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 9' ' ' PHE . 10.6 m-85 -128.38 118.79 23.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -76.12 -36.75 58.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 77.8 p -101.27 156.89 17.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.377 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -39.62 18.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 m -46.35 -44.71 17.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.972 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -75.42 -36.79 60.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.26 -53.05 62.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.224 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 t -64.47 -31.03 72.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.421 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -69.79 -39.47 76.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.02 -29.63 70.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.35 -52.0 15.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 110.24 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.41 -44.43 17.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' LYS . . . -64.26 -51.8 61.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.08 -25.47 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -73.98 -38.71 64.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' ALA . 40.3 mtmt -81.15 -44.46 17.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.535 ' CD1' ' CD2' ' A' ' 83' ' ' TYR . 62.1 mt -54.25 163.94 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -130.08 179.39 5.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 110.457 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.532 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.2 OUTLIER -47.11 -20.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.437 ' N ' ' C ' ' A' ' 76' ' ' THR . 19.6 tttt -97.23 -73.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.521 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -37.53 -33.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -68.98 -67.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.34 -42.5 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -78.09 -55.8 4.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.535 ' CD2' ' CD1' ' A' ' 75' ' ' LEU . 1.2 t80 -37.2 -37.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.163 HD13 ' CE1' ' A' ' 55' ' ' HIS . 1.8 mp -88.69 -55.54 3.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -46.69 -50.86 17.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -42.62 -29.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -98.84 -47.41 5.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -55.77 -45.19 78.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.538 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -41.22 -68.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.94 133.4 38.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 -153.07 128.96 10.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.622 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -154.4 154.43 33.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.579 1.175 . . . . 0.0 109.626 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.49 141.25 36.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 1.175 . . . . 0.0 109.581 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -151.71 162.65 40.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.593 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -159.71 87.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.56 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.574 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 1.8 m120 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 1.8 tttt 163.19 83.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt 45.19 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.51 ' O ' HG22 ' A' ' 25' ' ' THR . 6.9 p 61.73 131.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -82.8 99.49 9.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -78.6 121.02 24.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.546 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 59.3 t80 -102.34 113.17 26.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -122.45 132.75 54.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.9 t -114.05 113.44 43.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.584 HD21 ' HE3' ' A' ' 53' ' ' MET . 13.2 mt -91.13 154.43 19.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.877 HD23 HD11 ' A' ' 52' ' ' ILE . 1.8 tp -142.29 127.1 18.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.102 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' N ' HD12 ' A' ' 13' ' ' LEU . 20.7 p -109.52 -178.48 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 108.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -8.5 52.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -100.58 18.76 18.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 46.69 65.15 2.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -118.82 102.85 9.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 0.774 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -85.23 101.61 12.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.01 93.53 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.12 115.67 5.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.86 147.91 19.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.422 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 36.8 p90 -118.42 117.18 28.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.764 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.5 HG23 ' N ' ' A' ' 25' ' ' THR . 0.6 OUTLIER -167.31 179.99 4.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 6' ' ' SER . 73.5 p -111.6 137.38 49.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.407 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.499 ' CG ' ' HA ' ' A' ' 3' ' ' ASN . 11.0 mt-10 67.59 63.73 0.71 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 26' ' ' GLU . 18.4 Cg_endo -75.01 -24.43 12.81 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.02 -42.66 85.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.41 -40.06 30.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -66.73 -31.15 71.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tp -72.01 -71.84 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -40.24 -41.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -52.57 -58.11 7.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -50.05 -57.97 6.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.566 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -49.98 -56.53 10.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.94 41.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.043 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 146.17 32.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.77 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.7 m -122.97 115.77 46.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.877 HD11 HD23 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -116.71 151.12 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.584 ' HE3' HD21 ' A' ' 12' ' ' LEU . 1.4 ttm -116.75 118.99 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.681 HD11 ' CD2' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -113.27 -12.6 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.753 ' HB3' HD22 ' A' ' 84' ' ' LEU . 92.9 m-70 -125.82 137.18 53.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.572 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 55' ' ' HIS . 3.0 p -152.84 105.26 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -160.88 151.26 17.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.79 164.29 19.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 9' ' ' PHE . 5.4 m-85 -122.61 139.73 53.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -89.27 -48.45 7.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.5 p -97.73 169.23 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.473 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.412 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -83.52 -41.24 18.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.264 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -43.66 -65.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' ALA . 60.8 mt-10 -54.45 -36.35 63.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -63.81 -69.8 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.1 t -48.45 -24.37 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.422 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -84.83 -37.5 20.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 64' ' ' GLU . . . -63.6 -33.35 75.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.86 -38.96 27.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.96 -62.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.26 80.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.549 ' CD2' ' HE2' ' A' ' 80' ' ' LYS . 2.0 t80 -65.15 -9.81 25.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.59 -26.42 21.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -49.89 5.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' A' ' 79' ' ' GLN . 32.9 mt -54.6 165.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.783 HG23 ' H ' ' A' ' 78' ' ' LYS . 8.0 t -118.41 -172.05 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.455 ' N ' ' OG1' ' A' ' 76' ' ' THR . 4.9 ptt85 -59.06 -13.34 6.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.783 ' H ' HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -91.85 -75.02 0.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.79 ' HB3' HD22 ' A' ' 75' ' ' LEU . 4.6 mt-30 -40.78 -38.63 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.691 ' O ' HD12 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -63.53 -51.63 64.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -48.04 -55.98 8.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -51.06 47.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.534 ' O ' HG22 ' A' ' 86' ' ' THR . 1.8 t80 -37.32 -39.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.753 HD22 ' HB3' ' A' ' 55' ' ' HIS . 4.6 mp -89.9 -47.46 7.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -48.61 39.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 83' ' ' TYR . 8.7 t -50.69 -31.25 15.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.372 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -89.56 -38.92 13.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -60.1 -48.46 81.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.623 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 86' ' ' THR . 9.1 mt -43.54 -62.21 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.411 ' ND2' ' N ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -113.03 136.04 53.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.712 ' O ' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER 56.48 167.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.3 m 80.17 -150.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 109.965 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -140.98 120.56 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.518 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.478 ' HB2' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER -119.74 127.07 52.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.412 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 9.7 t80 -84.18 115.75 22.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.563 ' CE1' ' HA3' ' A' ' 22' ' ' GLY . 40.3 p90 -120.72 115.74 23.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.629 1.206 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 55' ' ' HIS . 2.7 t -93.19 155.49 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.401 ' CD2' ' CD2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -149.79 121.34 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.528 HD23 ' C ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -93.7 144.18 25.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.02 170.64 7.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 108.328 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -52.49 -49.9 63.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.67 -25.95 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.37 33.77 5.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 m -81.8 176.3 9.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 0.0 110.014 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -142.96 106.71 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -119.11 129.7 55.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.96 130.85 8.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.382 1.051 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.563 ' HA3' ' CE1' ' A' ' 10' ' ' TYR . . . -114.51 160.47 13.17 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.52 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 18.1 p90 -110.51 96.0 5.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -166.94 171.48 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.409 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.712 HG21 ' O ' ' A' ' 5' ' ' LYS . 72.2 p -122.54 130.63 53.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 73.97 68.05 0.27 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -12.43 21.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.44 -58.74 6.52 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 4.1 ptm180 -66.56 -34.3 77.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.403 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 51.0 ttt180 -65.53 -45.66 82.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 tp -53.32 -64.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 t -51.63 -36.84 47.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.4 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.87 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -44.48 -45.67 9.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.649 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -47.96 -62.97 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.22 -56.78 7.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.557 1.16 . . . . 0.0 111.045 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 168.15 25.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.56 1.821 . . . . 0.0 111.039 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.7 m -141.78 110.49 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 pt -108.91 133.2 54.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.477 ' O ' HG23 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -78.7 134.0 37.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 111.051 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.854 ' O ' HD21 ' A' ' 84' ' ' LEU . 1.4 pp -152.65 41.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.47 ' CB ' ' HB ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER 174.16 101.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.641 1.213 . . . . 0.0 109.594 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.7 p -121.26 126.36 49.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -138.16 158.88 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -126.86 143.89 51.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 68' ' ' ALA . 17.6 m-85 -136.82 99.29 3.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.635 ' HG3' HG23 ' A' ' 61' ' ' THR . 2.8 pt-20 -68.44 -29.52 68.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.635 HG23 ' HG3' ' A' ' 60' ' ' GLU . 11.5 p -123.94 159.35 29.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.2 ptt-85 -70.39 -26.68 63.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.493 ' O ' HG22 ' A' ' 66' ' ' THR . 2.9 m -57.58 -57.28 13.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 109.968 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -60.35 -46.14 90.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.605 1.191 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -43.11 -65.52 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 63' ' ' SER . 8.0 t -58.86 -28.4 66.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.414 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -66.77 -59.18 3.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 59' ' ' PHE . . . -57.31 -30.85 65.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -57.27 5.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.99 -45.63 31.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.51 -56.14 13.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.529 ' CD2' ' HE2' ' A' ' 80' ' ' LYS . 3.6 t80 -50.55 -51.26 49.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -57.57 -23.54 51.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.23 -34.4 23.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.813 HD22 ' HB3' ' A' ' 79' ' ' GLN . 80.0 mt -69.6 153.89 42.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.851 HG23 ' H ' ' A' ' 78' ' ' LYS . 9.8 t -116.69 -165.53 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 110.401 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.449 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.0 OUTLIER -63.25 -12.1 26.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.581 1.176 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.851 ' H ' HG23 ' A' ' 76' ' ' THR . 7.7 mttt -90.94 -74.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.214 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.813 ' HB3' HD22 ' A' ' 75' ' ' LEU . 9.1 mp0 -39.98 -50.25 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.529 ' HE2' ' CD2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -54.23 -54.47 39.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -52.34 -26.45 12.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.664 ' O ' HG23 ' A' ' 86' ' ' THR . 0.1 OUTLIER -68.04 -46.23 71.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -58.21 -39.41 78.95 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.854 HD21 ' O ' ' A' ' 54' ' ' ILE . 3.5 mm? -58.43 -50.51 73.44 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 88' ' ' HIS . 0.1 OUTLIER -61.04 -62.94 1.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 82' ' ' GLN . 43.6 p -38.86 -33.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.39 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -83.75 -44.22 14.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' LYS . 7.7 t60 -56.55 -42.45 78.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.549 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 86.2 mt -51.29 -66.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.367 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.292 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.498 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 0.4 OUTLIER 85.51 178.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' LYS . 14.6 mttt -52.1 -176.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.422 1.076 . . . . 0.0 109.225 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 p 66.51 138.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -84.15 125.78 32.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.571 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.502 ' CE1' ' HB3' ' A' ' 58' ' ' LYS . 11.7 m-85 -108.43 129.65 55.26 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.689 ' HE1' HG22 ' A' ' 11' ' ' VAL . 2.8 t80 -110.8 118.58 36.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.945 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.489 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 54.4 p90 -114.72 126.1 54.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.689 HG22 ' HE1' ' A' ' 9' ' ' PHE . 16.2 t -106.45 91.48 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.228 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.791 ' C ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -93.77 143.32 26.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.417 HD22 ' CD1' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -108.77 140.65 41.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.5 m -92.87 161.26 14.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.385 1.053 . . . . 0.0 108.311 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.94 -57.23 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.43 -42.19 61.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.09 42.64 0.51 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.28 116.58 29.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 0.78 . . . . 0.0 109.913 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CE1' ' HG3' ' A' ' 77' ' ' ARG . 12.5 m-85 -85.81 102.43 13.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -113.9 128.44 56.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.448 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . -116.59 136.46 12.82 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.61 123.59 3.58 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.594 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 44.7 p90 -106.87 104.01 13.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -167.39 -179.88 4.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 p -104.17 135.44 45.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.487 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.498 ' CG ' ' HA ' ' A' ' 3' ' ' ASN . 35.1 mt-10 58.92 63.99 3.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.405 1.065 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 26' ' ' GLU . 18.3 Cg_endo -75.0 -29.89 7.75 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.451 1.764 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -46.41 -49.86 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -74.41 -51.5 14.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -48.69 -46.59 40.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.236 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -60.29 4.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.1 m -44.36 -55.1 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.607 1.192 . . . . 0.0 110.353 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -42.07 -58.19 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -47.57 -59.44 3.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.584 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.76 -60.66 1.29 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.398 1.061 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 t -45.37 -57.25 4.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.056 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.089 0 O-C-N 124.557 1.16 . . . . 0.0 110.909 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 161.27 38.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.551 1.817 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.411 HG12 HD23 ' A' ' 12' ' ' LEU . 33.6 m -128.4 123.12 59.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.417 ' CD1' HD22 ' A' ' 13' ' ' LEU . 3.1 pt -113.89 133.04 61.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.4 mtt -100.57 117.47 34.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.612 HD13 ' H ' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -115.57 7.04 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 1.047 ' CE1' HD13 ' A' ' 84' ' ' LEU . 62.2 m-70 -143.69 150.67 39.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.588 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 55' ' ' HIS . 9.7 p -158.42 98.74 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.357 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -114.5 141.23 47.98 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.459 1.1 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.502 ' HB3' ' CE1' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -138.98 108.91 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.364 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -133.8 150.25 51.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -103.72 -12.19 17.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.0 p -99.32 137.94 37.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.589 1.181 . . . . 0.0 110.351 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -75.33 -47.23 28.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.225 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.465 ' O ' HG22 ' A' ' 66' ' ' THR . 2.1 m -42.1 -42.45 2.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -54.43 8.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.97 -56.5 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 63' ' ' SER . 7.7 t -58.43 -40.69 83.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -47.28 83.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.12 -37.59 64.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -52.24 26.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.608 1.193 . . . . 0.0 110.265 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.55 -65.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.56 -51.86 44.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.49 ' CE1' HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -45.84 -52.18 11.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.48 -29.77 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -91.72 -43.14 9.75 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.395 1.059 . . . . 0.0 109.288 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 79' ' ' GLN . 65.7 mt -58.39 163.23 3.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.576 HG23 ' H ' ' A' ' 78' ' ' LYS . 3.6 t -133.26 -176.36 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.354 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.556 ' HG3' ' CE1' ' A' ' 19' ' ' PHE . 35.4 ttm180 -49.93 -19.52 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.576 ' H ' HG23 ' A' ' 76' ' ' THR . 0.1 OUTLIER -98.47 -74.09 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 109.343 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.535 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -33.75 -51.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -52.48 -61.08 2.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.229 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -36.08 -52.52 0.77 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.576 1.172 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.798 ' O ' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -72.94 -61.64 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.457 ' CD1' HD11 ' A' ' 75' ' ' LEU . 22.4 t80 -35.65 -44.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 1.047 HD13 ' CE1' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -82.9 -56.19 3.96 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 8.6 ttpp -43.25 -49.62 6.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.378 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 82' ' ' GLN . 37.8 p -43.24 -38.35 2.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 110.46 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -94.71 -44.77 7.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -47.22 -42.74 20.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 0.0 109.59 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.9 mp -61.95 -60.84 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.372 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.495 ' HB2' ' CA ' ' A' ' 25' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -133.55 119.76 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.61 1.194 . . . . 0.0 109.348 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 6' ' ' SER . 11.5 mttt 72.86 152.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.2 p 85.75 -168.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.062 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -135.03 115.26 13.29 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.127 . . . . 0.0 109.634 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.455 ' CE1' ' HB3' ' A' ' 58' ' ' LYS . 1.3 m-85 -103.89 120.75 41.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.448 ' HB3' ' CB ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -82.59 99.12 9.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.696 ' CD1' HG22 ' A' ' 56' ' ' THR . 2.7 m-85 -112.79 101.38 9.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.622 ' O ' HG12 ' A' ' 11' ' ' VAL . 1.7 t -87.95 97.05 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.67 154.3 32.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 13' ' ' LEU . 1.2 tt -112.19 149.32 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.6 OUTLIER -114.35 158.39 21.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.586 1.179 . . . . 0.0 108.288 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -38.15 4.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.21 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.4 -39.32 78.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' CYS . . . 112.47 45.48 0.79 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 p -101.51 135.41 43.06 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.465 0.744 . . . . 0.0 109.967 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -90.84 100.73 13.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -89.11 91.66 8.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.071 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.35 106.62 2.03 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.504 1.128 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -114.63 125.05 6.63 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.555 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 23.7 p90 -109.15 94.6 5.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 0.735 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 25' ' ' THR . 0.7 OUTLIER -167.57 179.12 5.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.495 ' CA ' ' HB2' ' A' ' 3' ' ' ASN . 15.7 p -128.17 123.15 33.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.445 ' N ' ' HB2' ' A' ' 3' ' ' ASN . 1.9 tm-20 77.95 74.09 0.17 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -4.49 15.48 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.449 1.763 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -62.92 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -34.12 76.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -67.57 -44.11 79.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mt -58.43 -69.27 0.19 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.1 t -41.56 -39.96 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.56 -61.2 1.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -48.56 -56.33 8.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.645 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -46.01 -44.44 15.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.05 -50.11 44.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 67.77 5.8 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 51' ' ' VAL . 32.0 m -79.22 102.21 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.361 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -106.91 155.21 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.27 143.67 26.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.0 pp -148.97 -46.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.965 ' ND1' HD13 ' A' ' 84' ' ' LEU . 15.6 m-70 -115.05 121.05 41.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.558 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.696 HG22 ' CD1' ' A' ' 10' ' ' TYR . 6.0 p -126.67 157.88 37.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 9' ' ' PHE . 2.0 tt0 -169.17 159.03 8.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -138.06 155.97 48.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -159.04 117.26 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.049 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.58 -0.99 57.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.333 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -123.9 143.27 50.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.389 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -50.06 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.693 ' O ' HG22 ' A' ' 66' ' ' THR . 19.6 m -42.96 -67.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.065 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.99 -51.54 40.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.0 -67.01 0.32 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 63' ' ' SER . 10.2 t -52.7 -30.78 34.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.45 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -48.13 70.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.51 -34.72 50.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.81 -60.87 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.7 -30.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.33 -50.63 8.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.559 ' CD2' ' HE2' ' A' ' 80' ' ' LYS . 20.5 t80 -48.55 -50.63 31.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.09 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.12 -23.98 16.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -92.4 -50.1 5.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.597 1.186 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.783 HD22 ' HB3' ' A' ' 79' ' ' GLN . 33.2 mt -52.06 171.17 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.793 HG23 ' H ' ' A' ' 78' ' ' LYS . 8.6 t -138.17 -171.7 3.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.444 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.5 OUTLIER -57.4 -15.29 6.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.34 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.793 ' H ' HG23 ' A' ' 76' ' ' THR . 1.2 tttm -95.18 -75.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.783 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -37.05 -61.03 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.182 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.559 ' HE2' ' CD2' ' A' ' 72' ' ' PHE . 36.0 mttt -42.01 -48.32 4.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.5 ' HA ' ' CE1' ' A' ' 55' ' ' HIS . 15.2 tt0 -47.86 -55.76 9.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 85' ' ' LYS . 3.2 mm-40 -71.92 -54.8 8.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 82' ' ' GLN . 2.5 t80 -35.71 -47.39 0.48 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 111.041 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.965 HD13 ' ND1' ' A' ' 55' ' ' HIS . 0.4 OUTLIER -75.41 -43.29 50.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.534 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -54.32 -56.8 14.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 82' ' ' GLN . 42.5 p -40.65 -28.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.382 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.426 ' N ' ' C ' ' A' ' 85' ' ' LYS . 75.1 t80 -98.44 -62.06 1.29 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 111.011 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -40.06 -44.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.383 1.052 . . . . 0.0 109.6 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 85' ' ' LYS . 6.1 mt -40.72 -61.16 0.99 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.433 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 7.2 m-80 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -172.29 130.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 6' ' ' SER . 8.2 pttt -53.14 165.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.466 ' O ' ' CG2' ' A' ' 25' ' ' THR . 0.7 OUTLIER 79.51 -165.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 109.988 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.438 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 2.1 m-70 -117.26 128.74 55.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.601 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.519 ' CZ ' ' HG2' ' A' ' 58' ' ' LYS . 2.6 m-85 -109.05 117.72 34.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -92.94 126.66 38.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 27' ' ' PRO . 15.2 p90 -137.77 174.43 10.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.919 HG12 HD11 ' A' ' 54' ' ' ILE . 24.9 t -139.66 127.73 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.521 HD23 HG11 ' A' ' 51' ' ' VAL . 1.9 mp -98.8 139.76 33.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.21 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.775 HD22 HG12 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -127.05 134.96 50.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.4 m -106.63 167.1 10.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -51.41 -34.08 33.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.63 -44.18 87.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.379 1.05 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.13 42.86 0.75 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.425 1.078 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.94 118.01 35.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 0.747 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -98.75 122.02 41.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.47 112.45 15.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.595 1.185 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.22 147.61 21.73 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.57 143.8 9.06 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -116.72 109.69 17.48 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.533 0.784 . . . . 0.0 110.978 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.441 HG23 ' N ' ' A' ' 25' ' ' THR . 0.7 OUTLIER -165.93 -179.8 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.356 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 6' ' ' SER . 46.9 p -117.76 120.6 38.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 110.309 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CG ' ' HA ' ' A' ' 3' ' ' ASN . 1.0 OUTLIER 76.99 72.38 0.2 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 110.233 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 10' ' ' TYR . 18.1 Cg_endo -75.03 -0.73 10.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.502 1.791 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.6 -59.63 2.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 110.36 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 10.9 ptm180 -63.79 -37.24 86.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 1.178 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -69.8 -36.86 76.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 27' ' ' PRO . 12.7 tp -68.6 -64.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 t -45.51 -38.23 6.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.436 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -44.89 -51.21 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -65.71 -49.49 68.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.608 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -56.46 -21.25 24.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 t -109.0 22.45 15.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.175 . . . . 0.0 109.999 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.558 1.161 . . . . 0.0 110.999 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 152.45 41.14 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.444 1.76 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.521 HG11 HD23 ' A' ' 12' ' ' LEU . 21.1 m -136.51 130.25 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.775 HG12 HD22 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -123.4 161.03 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.392 1.057 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 mtm -101.03 126.04 47.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.919 HD11 HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -122.39 -40.04 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.6 ' ND1' HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -107.33 120.85 43.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.568 1.168 . . . . 0.0 109.537 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 p -128.84 148.02 50.85 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.441 1.088 . . . . 0.0 110.396 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.485 ' OE2' ' CE1' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -167.71 132.86 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.519 ' HG2' ' CZ ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -113.85 152.15 31.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 109.393 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.659 ' CZ ' ' CB ' ' A' ' 68' ' ' ALA . 48.5 m-85 -149.45 113.31 5.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -71.18 -46.47 61.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.647 1.217 . . . . 0.0 110.297 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.6 p -100.23 161.52 13.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -79.19 -34.22 43.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 m -52.85 -57.07 11.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.96 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.55 -23.69 66.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 110.242 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.46 -69.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.3 t -49.46 -24.4 2.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -75.34 -45.87 36.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.659 ' CB ' ' CZ ' ' A' ' 59' ' ' PHE . . . -66.9 -31.89 72.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -69.88 -49.93 47.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.83 -43.67 63.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.74 -55.58 18.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -54.24 -25.8 25.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -80.79 -16.03 54.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -6.2 28.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.6 mt -90.42 160.36 16.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.513 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 2.1 t -131.59 -176.36 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.429 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.513 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.0 OUTLIER -50.68 -19.3 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.493 ' H ' HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -84.37 -75.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -42.84 -38.41 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.262 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.475 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -66.62 -58.54 4.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.402 1.063 . . . . 0.0 109.345 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.93 -17.15 21.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.231 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -76.26 -39.47 54.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.394 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.802 ' HD1' HD22 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -73.11 -25.45 60.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.548 1.155 . . . . 0.0 111.046 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.802 HD22 ' HD1' ' A' ' 83' ' ' TYR . 4.5 mm? -70.1 -49.99 45.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -65.61 -58.86 4.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 83' ' ' TYR . 2.0 t -50.26 -23.19 2.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 110.427 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.434 ' CB ' ' O ' ' A' ' 83' ' ' TYR . 32.1 t80 -89.75 -35.52 15.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -49.11 46.94 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 0.0 109.585 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.2 mt -47.68 -58.21 4.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 5' ' ' LYS . 1.1 m120 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.76 95.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 3' ' ' ASN . 0.1 OUTLIER -179.87 97.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.73 171.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -97.42 119.34 35.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.478 1.112 . . . . 0.0 109.526 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 58' ' ' LYS . 7.9 m-85 -105.71 103.44 12.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.427 ' HE1' HG22 ' A' ' 11' ' ' VAL . 2.3 t80 -85.23 110.14 18.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.728 ' CZ ' HG22 ' A' ' 56' ' ' THR . 2.2 m-30 -117.71 122.15 42.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.078 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.427 HG22 ' HE1' ' A' ' 9' ' ' PHE . 5.2 t -89.97 104.59 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -81.05 150.04 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -131.6 113.02 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.521 ' O ' HD12 ' A' ' 13' ' ' LEU . 1.6 m -72.08 178.82 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.77 -56.9 4.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 110.389 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.3 -36.76 53.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.25 60.02 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.68 112.43 24.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.975 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -84.88 100.98 11.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.55 101.04 5.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.37 148.15 18.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 111.077 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -158.1 157.64 28.45 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 35.7 p90 -104.95 129.36 53.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.485 HG23 ' N ' ' A' ' 25' ' ' THR . 0.6 OUTLIER -167.4 -179.79 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.437 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.485 ' N ' HG23 ' A' ' 24' ' ' THR . 8.9 p -118.75 129.22 55.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.412 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.419 ' OE1' ' NE ' ' A' ' 29' ' ' ARG . 0.7 OUTLIER 74.94 69.86 0.23 Allowed Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.578 1.173 . . . . 0.0 110.304 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -0.6 10.18 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.436 1.756 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.55 -63.9 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.435 ' C ' HG22 ' A' ' 32' ' ' THR . 12.0 ptp180 -61.55 -26.77 68.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 33' ' ' GLU . 2.4 ttp180 -68.53 -62.21 1.49 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.482 HD11 HG21 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -41.42 -59.0 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.435 HG22 ' C ' ' A' ' 29' ' ' ARG . 4.8 t -52.36 -37.8 57.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 30' ' ' ARG . 1.3 tt0 -64.09 -66.04 0.6 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 1.178 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -42.31 -63.57 0.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.656 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -44.73 -58.73 2.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 t -49.92 -56.12 11.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.08 0 O-C-N 124.447 1.092 . . . . 0.0 110.916 179.908 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 . . . . . 0 N--CA 1.451 -0.386 0 CA-C-O 120.605 0.24 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 98.25 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.446 1.761 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.482 HG21 HD11 ' A' ' 31' ' ' LEU . 6.1 m -76.88 136.88 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.49 HD11 HD23 ' A' ' 13' ' ' LEU . 8.4 pt -122.8 151.11 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.13 136.85 32.79 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.782 HD12 ' CD2' ' A' ' 55' ' ' HIS . 0.6 OUTLIER -140.44 -47.14 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.782 ' CD2' HD12 ' A' ' 54' ' ' ILE . 88.5 m-70 -107.91 153.17 23.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.728 HG22 ' CZ ' ' A' ' 10' ' ' TYR . 7.4 p -158.05 107.6 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.433 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.35 139.62 50.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.57 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 1.7 tttt -130.88 119.54 22.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 65' ' ' ALA . 7.7 p90 -145.81 119.4 9.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -88.54 -23.72 23.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.363 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.9 p -97.35 140.95 31.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.462 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.459 ' HA ' ' HB3' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -65.97 -38.54 88.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.62 -44.41 47.32 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.597 1.186 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.72 -30.33 40.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.36 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.492 ' HB2' ' CD1' ' A' ' 59' ' ' PHE . . . -66.91 -54.74 19.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 t -59.77 -38.4 81.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -54.18 49.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.21 -42.84 31.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -67.91 -55.08 14.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.83 -50.53 14.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.56 -46.16 89.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.508 ' CG ' ' HE2' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -56.36 -16.73 6.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 111.06 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -81.61 -34.57 30.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.156 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -94.58 24.29 4.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.596 HD22 ' HB3' ' A' ' 79' ' ' GLN . 22.2 mt -134.04 168.9 17.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -133.87 178.03 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.499 ' N ' ' OG1' ' A' ' 76' ' ' THR . 15.1 ptt180 -48.51 -19.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -95.92 -73.01 0.61 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.596 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -37.99 -38.46 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.707 ' O ' HD12 ' A' ' 84' ' ' LEU . 16.5 mttt -63.06 -53.68 49.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' LYS . 1.2 tp10 -47.54 -51.26 21.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.065 . . . . 0.0 110.336 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -70.45 -49.07 52.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 83' ' ' TYR . 1.1 t80 -41.83 -51.37 4.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.765 HD22 ' CG ' ' A' ' 55' ' ' HIS . 5.1 mp -75.23 -26.45 58.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' GLN . 19.3 tttt -57.97 -57.96 10.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -46.34 -34.37 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -80.81 -37.11 30.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -12.49 61.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.599 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -73.56 -46.93 44.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.219 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.477 ' CB ' ' HG2' ' A' ' 26' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 5' ' ' LYS . 2.1 tptm 67.19 142.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -39.25 115.48 0.5 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER 160.78 126.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -82.34 98.8 9.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.586 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 58' ' ' LYS . 35.4 m-85 -93.21 112.59 24.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -87.38 117.78 26.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -126.93 138.97 53.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.1 t -109.8 138.52 37.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.776 HD22 ' HB ' ' A' ' 51' ' ' VAL . 97.2 mt -114.31 127.03 55.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.04 HD23 HD11 ' A' ' 52' ' ' ILE . 0.3 OUTLIER -110.68 120.44 42.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.573 ' O ' HD12 ' A' ' 13' ' ' LEU . 27.5 m -97.68 -159.86 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 108.274 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -95.44 -19.6 19.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.173 . . . . 0.0 110.316 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -100.01 35.58 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 45.19 54.6 7.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.592 1.182 . . . . 0.0 111.041 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.1 m -107.73 100.6 9.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.047 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -88.86 117.11 27.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.3 92.22 3.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.77 128.59 9.55 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.03 144.18 9.81 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.502 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 51.5 p90 -108.37 126.85 53.33 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.491 0.759 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -167.23 169.99 12.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.408 1.068 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.5 p -98.37 142.06 30.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 3' ' ' ASN . 48.4 mt-10 52.79 72.06 1.27 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.203 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 -35.07 3.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -43.1 -49.56 6.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -70.8 -53.95 13.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.42 -40.67 37.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.36 -58.21 9.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.406 1.067 . . . . 0.0 109.276 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' GLU . 20.2 m -42.61 -57.24 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.409 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -38.74 -56.67 1.31 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 110.348 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.557 ' CD2' ' C ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -46.22 -65.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.463 ' N ' ' CG ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -53.54 -22.0 7.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.069 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -100.19 26.06 6.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.064 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.425 1.078 . . . . 0.0 111.103 -179.908 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.5 ' HG3' HG13 ' A' ' 51' ' ' VAL . 11.2 ptp180 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 93.48 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.565 1.824 . . . . 0.0 111.009 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.776 ' HB ' HD22 ' A' ' 12' ' ' LEU . 34.4 m -79.3 114.92 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 1.04 HD11 HD23 ' A' ' 13' ' ' LEU . 4.2 pt -109.63 147.02 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.242 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -93.1 113.94 26.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.954 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.4 HD13 ' CD2' ' A' ' 55' ' ' HIS . 1.4 pp -120.59 5.31 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 1.178 ' CE1' HD13 ' A' ' 84' ' ' LEU . 64.0 m-70 -141.32 155.45 45.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.584 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 55' ' ' HIS . 13.3 p -157.88 110.9 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.445 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -135.37 150.08 49.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 2.2 ttpp -139.19 124.47 19.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.466 ' CZ ' ' HG2' ' A' ' 57' ' ' GLU . 30.8 m-85 -125.33 131.5 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -111.24 -27.79 8.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.38 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.9 p -93.03 144.52 25.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -36.0 69.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.268 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 66' ' ' THR . 39.5 m -54.39 -48.08 71.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.968 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -69.18 -44.56 71.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.4 -61.98 1.56 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 63' ' ' SER . 9.0 t -57.75 -30.82 65.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.471 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -43.73 86.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.405 1.065 . . . . 0.0 109.222 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.93 -38.39 72.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -60.29 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.222 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.26 -43.08 10.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.474 ' HA ' ' CD ' ' A' ' 74' ' ' LYS . . . -66.62 -47.61 72.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.67 -21.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -90.92 -29.46 17.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.474 ' CD ' ' HA ' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -94.79 23.54 5.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.247 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 79' ' ' GLN . 31.2 mt -138.76 168.97 18.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.62 1.2 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.704 HG23 ' H ' ' A' ' 78' ' ' LYS . 3.9 t -145.48 179.7 7.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -38.98 -27.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.704 ' H ' HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -96.62 -74.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.618 1.199 . . . . 0.0 109.328 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.47 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.9 OUTLIER -33.58 -37.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 1.099 . . . . 0.0 110.348 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.631 ' O ' HD12 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -66.85 -64.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -37.35 -34.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 110.215 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -82.98 -50.75 8.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 83' ' ' TYR . 1.1 t80 -40.03 -35.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 1.178 HD13 ' CE1' ' A' ' 55' ' ' HIS . 3.9 mp -87.99 -38.43 15.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 82' ' ' GLN . 0.4 OUTLIER -55.13 -57.95 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.418 ' HA ' HD12 ' A' ' 89' ' ' LEU . 9.2 t -46.45 -33.31 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.461 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -83.62 -44.79 14.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -61.19 -45.37 94.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.61 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 86' ' ' THR . 14.0 mt -47.86 -64.43 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.518 ' HB3' ' CB ' ' A' ' 26' ' ' GLU . 1.1 p30 . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.501 ' N ' ' CG ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER 67.53 66.09 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt 67.92 149.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m 77.64 96.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.57 1.169 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -82.51 130.92 35.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.629 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.571 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 10.3 m-85 -108.86 133.36 52.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -103.52 118.81 37.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 111.036 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -120.24 137.35 54.27 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.02 91.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.94 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.29 144.66 31.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.693 ' N ' HD22 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -113.3 139.12 49.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -94.34 162.49 13.81 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 108.281 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -56.26 -48.55 76.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.372 1.045 . . . . 0.0 110.211 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -28.18 46.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.26 49.2 1.07 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.43 1.082 . . . . 0.0 110.948 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.29 115.48 30.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -86.63 104.66 16.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.998 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -135.38 147.31 49.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.8 170.48 42.37 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.14 163.76 32.1 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.619 ' CG ' ' HB1' ' A' ' 65' ' ' ALA . 19.4 p90 -103.18 134.21 46.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 0.786 . . . . 0.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -167.45 -179.9 4.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.28 130.96 56.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.623 1.202 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.518 ' CB ' ' HB3' ' A' ' 3' ' ' ASN . 0.0 OUTLIER 71.33 68.08 0.36 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -28.09 9.37 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.432 1.753 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.49 -48.53 74.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.587 1.18 . . . . 0.0 110.244 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -49.29 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.209 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -34.59 60.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.169 . . . . 0.0 110.243 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.4 tp -72.72 -61.87 1.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -47.99 -55.03 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.427 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.79 -60.81 1.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.375 1.047 . . . . 0.0 110.325 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -43.45 -56.07 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.601 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.94 -52.38 50.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.89 42.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 110.046 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 146.72 33.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.854 ' HB ' HD23 ' A' ' 12' ' ' LEU . 5.1 m -129.18 110.14 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.579 HG12 HD22 ' A' ' 13' ' ' LEU . 7.4 pt -108.27 141.12 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.5 mtt -108.24 115.76 30.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.667 HD11 ' CD2' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -105.39 -13.64 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.92 ' CE1' HD13 ' A' ' 84' ' ' LEU . 98.4 m-70 -118.94 153.65 34.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 55' ' ' HIS . 5.6 p -159.04 109.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.442 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -128.4 153.21 47.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 8' ' ' TYR . 3.5 mtmt -127.1 128.71 46.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.585 1.178 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -127.08 123.08 36.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.583 ' HG3' HG23 ' A' ' 61' ' ' THR . 4.6 pt-20 -87.79 -12.14 45.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.08 . . . . 0.0 110.299 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.583 HG23 ' HG3' ' A' ' 60' ' ' GLU . 77.1 p -125.92 165.07 19.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 110.425 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -85.37 -44.21 12.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.575 1.172 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 m -43.35 -48.4 6.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.052 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -51.59 64.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.63 1.206 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.619 ' HB1' ' CG ' ' A' ' 23' ' ' TYR . . . -47.41 -59.62 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.4 t -61.37 -38.86 88.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -54.96 -49.87 70.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.56 -44.11 72.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -55.48 -55.84 27.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.24 -62.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.5 -53.04 62.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.519 ' CG ' ' HE2' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -43.64 -51.82 6.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.934 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -48.13 -38.27 17.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.586 1.179 . . . . 0.0 109.356 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -28.14 36.39 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.66 HD22 ' HB3' ' A' ' 79' ' ' GLN . 35.7 mt -79.97 152.36 29.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.856 HG23 ' H ' ' A' ' 78' ' ' LYS . 8.9 t -114.13 -169.06 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.319 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.43 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.4 OUTLIER -61.61 -11.9 13.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.856 ' H ' HG23 ' A' ' 76' ' ' THR . 8.3 mmtt -100.11 -75.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.66 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -34.77 -42.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.274 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.559 ' O ' HD12 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -63.78 -63.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 80' ' ' LYS . 3.5 tp10 -38.29 -53.15 1.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 110.352 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' LYS . 7.7 mm-40 -69.91 -55.85 8.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.615 ' O ' HG22 ' A' ' 86' ' ' THR . 2.9 t80 -35.42 -53.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.92 HD13 ' CE1' ' A' ' 55' ' ' HIS . 2.3 mp -68.86 -42.73 76.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.371 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 82' ' ' GLN . 0.2 OUTLIER -50.25 -50.1 51.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 83' ' ' TYR . 0.8 OUTLIER -43.7 -38.1 2.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -85.63 -27.47 25.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LYS . 4.8 t60 -63.82 -36.88 85.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 89' ' ' LEU . 3.8 mm? -44.6 -63.29 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.478 ' CB ' ' HB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -122.7 44.22 2.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.88 145.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.559 ' O ' HG21 ' A' ' 25' ' ' THR . 15.9 p 64.94 -157.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -128.47 128.53 44.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 109.589 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 58' ' ' LYS . 9.2 m-85 -119.92 127.17 52.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 111.057 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -86.76 122.04 30.1 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.615 1.197 . . . . 0.0 111.06 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.421 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 8.7 p90 -124.15 149.84 45.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 11' ' ' VAL . 20.4 t -110.86 91.3 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.652 HD22 ' HB ' ' A' ' 51' ' ' VAL . 42.2 mt -76.65 122.21 24.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.61 HD23 ' C ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -109.98 138.3 46.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.47 -178.93 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 1.06 . . . . 0.0 108.323 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -62.11 -31.31 71.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -61.52 -16.71 50.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.49 32.07 55.55 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 m -100.12 146.61 26.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 110.035 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -99.13 107.43 19.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -95.2 104.43 16.32 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.19 109.03 3.25 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -120.21 162.91 14.09 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.54 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 29.9 p90 -135.37 99.76 4.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.575 0.809 . . . . 0.0 111.019 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.617 HG23 ' N ' ' A' ' 25' ' ' THR . 0.5 OUTLIER -166.58 179.93 5.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.617 ' N ' HG23 ' A' ' 24' ' ' THR . 28.1 p -135.13 129.36 33.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.404 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 3' ' ' ASN . 0.7 OUTLIER 77.75 71.61 0.19 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -19.81 17.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.444 1.76 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.439 ' O ' HG22 ' A' ' 32' ' ' THR . 10.6 mt-10 -51.85 -56.53 13.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.586 1.179 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.47 ' HA ' ' CG2' ' A' ' 32' ' ' THR . 5.9 ptt180 -76.0 -25.12 55.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -70.17 -39.71 75.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.32 -62.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 29' ' ' ARG . 2.4 t -48.57 -33.37 9.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.463 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -44.08 -64.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -77.13 -48.38 17.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.608 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -43.69 -59.08 2.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -51.11 -48.56 61.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.592 1.183 . . . . 0.0 111.024 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 168.81 23.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.652 ' HB ' HD22 ' A' ' 12' ' ' LEU . 5.3 m -140.5 86.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -104.12 147.67 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.41 ' O ' ' HG2' ' A' ' 53' ' ' MET . 0.0 OUTLIER -120.42 130.74 54.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.537 HD13 ' H ' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -119.81 -8.94 11.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.602 ' NE2' ' CG ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -115.5 97.46 6.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.575 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 p -100.49 123.06 44.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 110.432 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.28 148.82 42.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -128.79 155.36 45.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 68' ' ' ALA . 43.7 m-85 -165.48 134.23 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -107.4 -19.2 13.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.546 1.153 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.3 p -108.49 145.27 34.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.078 . . . . 0.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.0 -43.32 65.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.249 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -51.27 -37.26 46.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.6 1.187 . . . . 0.0 110.027 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -82.63 -47.26 12.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.365 1.041 . . . . 0.0 110.358 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.71 -43.66 72.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.46 1.1 . . . . 0.0 109.233 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 t -71.52 -42.63 67.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.5 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.95 -55.3 36.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.363 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.602 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . . . -49.9 -41.92 46.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -54.44 46.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.36 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.17 -51.51 24.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.99 -53.65 54.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.393 1.058 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.497 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 1.3 t80 -58.42 -16.86 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -86.0 -19.77 29.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.226 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -93.6 -36.08 12.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.821 HD22 ' HG2' ' A' ' 79' ' ' GLN . 76.4 mt -61.56 166.44 4.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.737 HG23 ' H ' ' A' ' 78' ' ' LYS . 7.9 t -136.59 -171.38 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.455 ' N ' ' OG1' ' A' ' 76' ' ' THR . 4.0 ptt180 -53.8 -18.52 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.737 ' H ' HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -84.55 -75.27 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.821 ' HG2' HD22 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -42.34 -52.99 4.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 110.204 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -54.13 -49.72 68.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.601 1.188 . . . . 0.0 109.407 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -59.53 -20.71 57.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -71.99 -43.85 64.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.211 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.602 ' CG ' ' NE2' ' A' ' 55' ' ' HIS . 0.8 OUTLIER -64.23 -35.49 80.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.958 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 54' ' ' ILE . 2.0 mm? -60.25 -52.97 63.04 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.91 -65.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.442 HG22 ' HA ' ' A' ' 83' ' ' TYR . 1.0 OUTLIER -39.65 -33.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.43 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.436 ' CB ' ' O ' ' A' ' 83' ' ' TYR . 34.6 t80 -84.23 -49.51 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.376 1.048 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.0 -32.56 2.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.576 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.53 -60.68 2.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 90' ' ' GLU . 4.6 pt-20 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.435 ' CB ' ' HB ' ' A' ' 25' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 2.0 ttpt -140.99 33.95 1.75 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.411 1.069 . . . . 0.0 109.376 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' O ' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER -161.08 157.7 26.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.497 ' O ' ' CG2' ' A' ' 25' ' ' THR . 7.4 m 54.81 -167.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.05 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -130.43 112.72 13.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.594 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.519 ' CE2' ' HB3' ' A' ' 58' ' ' LYS . 10.1 m-85 -91.15 128.24 36.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 9.7 t80 -91.54 116.05 28.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.541 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 36.5 p90 -131.16 124.57 30.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 t -96.49 138.74 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.524 ' HA ' HD13 ' A' ' 12' ' ' LEU . 1.7 mm? -111.11 146.9 36.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.552 HD22 HG12 ' A' ' 52' ' ' ILE . 2.3 tt -116.17 147.25 41.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 109.243 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.4 m -115.16 -178.8 3.46 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.081 . . . . 0.0 108.195 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -58.07 -64.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -48.49 -29.51 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.227 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.45 35.36 3.35 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.98 162.13 27.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -121.82 122.47 39.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -151.21 103.39 3.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.18 168.42 12.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.55 168.61 29.16 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.541 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 38.8 p90 -119.99 107.58 13.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 25' ' ' THR . 0.7 OUTLIER -166.18 179.2 5.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.432 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 6' ' ' SER . 13.7 p -124.72 128.06 48.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 77.75 70.97 0.19 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -30.44 7.1 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.479 1.779 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -44.32 -47.7 9.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.407 ' O ' HG22 ' A' ' 32' ' ' THR . 8.8 mtp180 -71.28 -54.31 11.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -50.66 -40.03 52.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.58 1.175 . . . . 0.0 110.273 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.24 -61.33 2.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 29' ' ' ARG . 3.3 t -63.07 -23.31 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.408 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.55 -21.89 65.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.86 -23.52 16.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.552 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -91.87 15.69 12.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 t -85.78 -54.18 4.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.948 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 O-C-N 124.402 1.064 . . . . 0.0 110.9 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.3 Cg_endo -74.93 118.05 5.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.446 1.761 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.467 ' HB ' HD12 ' A' ' 12' ' ' LEU . 18.8 m -140.07 118.35 10.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.552 HG12 HD22 ' A' ' 13' ' ' LEU . 4.8 pt -110.74 154.46 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.6 mtt -99.91 109.51 21.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.58 HD13 ' H ' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -106.72 -13.01 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 1.163 ' CE1' HD13 ' A' ' 84' ' ' LEU . 67.4 m-70 -126.95 152.31 47.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 55' ' ' HIS . 10.3 p -158.09 113.07 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -146.49 157.87 43.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.077 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.88 133.55 37.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 9' ' ' PHE . 10.6 m-85 -128.38 118.79 23.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -76.12 -36.75 58.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 77.8 p -101.27 156.89 17.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.377 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -39.62 18.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 m -46.35 -44.71 17.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.972 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -75.42 -36.79 60.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.26 -53.05 62.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.224 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 t -64.47 -31.03 72.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.421 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -69.79 -39.47 76.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.02 -29.63 70.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.35 -52.0 15.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 110.24 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.41 -44.43 17.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' LYS . . . -64.26 -51.8 61.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.08 -25.47 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -73.98 -38.71 64.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' ALA . 40.3 mtmt -81.15 -44.46 17.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.535 ' CD1' ' CD2' ' A' ' 83' ' ' TYR . 62.1 mt -54.25 163.94 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -130.08 179.39 5.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 110.457 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.532 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.2 OUTLIER -47.11 -20.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.437 ' N ' ' C ' ' A' ' 76' ' ' THR . 19.6 tttt -97.23 -73.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.521 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -37.53 -33.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -68.98 -67.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.34 -42.5 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -78.09 -55.8 4.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.535 ' CD2' ' CD1' ' A' ' 75' ' ' LEU . 1.2 t80 -37.2 -37.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 1.163 HD13 ' CE1' ' A' ' 55' ' ' HIS . 1.8 mp -88.69 -55.54 3.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -46.69 -50.86 17.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -42.62 -29.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -98.84 -47.41 5.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -55.77 -45.19 78.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.538 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -41.22 -68.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.249 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.533 0.206 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -54.59 -175.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 1.8 m120 59.81 76.21 0.37 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 1.8 tttt 163.19 83.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt 45.19 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.51 ' O ' HG22 ' A' ' 25' ' ' THR . 6.9 p 61.73 131.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -82.8 99.49 9.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 2' ' ' GLU . 95.6 m-85 -78.6 121.02 24.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.546 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 59.3 t80 -102.34 113.17 26.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -122.45 132.75 54.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.9 t -114.05 113.44 43.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.584 HD21 ' HE3' ' A' ' 53' ' ' MET . 13.2 mt -91.13 154.43 19.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.877 HD23 HD11 ' A' ' 52' ' ' ILE . 1.8 tp -142.29 127.1 18.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.102 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' N ' HD12 ' A' ' 13' ' ' LEU . 20.7 p -109.52 -178.48 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 108.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -8.5 52.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -100.58 18.76 18.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 46.69 65.15 2.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -118.82 102.85 9.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 0.774 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -85.23 101.61 12.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.01 93.53 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.12 115.67 5.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.86 147.91 19.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.422 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 36.8 p90 -118.42 117.18 28.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.764 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.5 HG23 ' N ' ' A' ' 25' ' ' THR . 0.6 OUTLIER -167.31 179.99 4.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 6' ' ' SER . 73.5 p -111.6 137.38 49.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.407 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' CG ' ' HA ' ' A' ' 3' ' ' ASN . 11.0 mt-10 67.59 63.73 0.71 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 26' ' ' GLU . 18.4 Cg_endo -75.01 -24.43 12.81 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.02 -42.66 85.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.41 -40.06 30.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -66.73 -31.15 71.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tp -72.01 -71.84 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -40.24 -41.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -52.57 -58.11 7.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -50.05 -57.97 6.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.566 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -49.98 -56.53 10.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.94 41.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.043 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.41 -63.71 0.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.4 m -52.93 -64.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 40' ' ' ALA . . . -171.73 127.96 1.51 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 39' ' ' GLY . . . -179.3 166.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.6 -73.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -149.45 94.53 2.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.9 m -153.37 92.91 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -80.31 -58.05 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.49 -56.58 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.65 100.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -87.63 -67.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -45.02 140.27 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.93 84.27 0.21 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 146.17 32.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.77 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.7 m -122.97 115.77 46.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.877 HD11 HD23 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -116.71 151.12 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.584 ' HE3' HD21 ' A' ' 12' ' ' LEU . 1.4 ttm -116.75 118.99 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.681 HD11 ' CD2' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -113.27 -12.6 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.753 ' HB3' HD22 ' A' ' 84' ' ' LEU . 92.9 m-70 -125.82 137.18 53.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.572 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 55' ' ' HIS . 3.0 p -152.84 105.26 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -160.88 151.26 17.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.79 164.29 19.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 9' ' ' PHE . 5.4 m-85 -122.61 139.73 53.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -89.27 -48.45 7.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.5 p -97.73 169.23 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.473 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.412 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -83.52 -41.24 18.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.264 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -43.66 -65.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' ALA . 60.8 mt-10 -54.45 -36.35 63.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -63.81 -69.8 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.1 t -48.45 -24.37 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.422 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -84.83 -37.5 20.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 64' ' ' GLU . . . -63.6 -33.35 75.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.86 -38.96 27.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.96 -62.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.26 80.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.549 ' CD2' ' HE2' ' A' ' 80' ' ' LYS . 2.0 t80 -65.15 -9.81 25.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.59 -26.42 21.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -49.89 5.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' A' ' 79' ' ' GLN . 32.9 mt -54.6 165.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.783 HG23 ' H ' ' A' ' 78' ' ' LYS . 8.0 t -118.41 -172.05 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.455 ' N ' ' OG1' ' A' ' 76' ' ' THR . 4.9 ptt85 -59.06 -13.34 6.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.783 ' H ' HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -91.85 -75.02 0.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.79 ' HB3' HD22 ' A' ' 75' ' ' LEU . 4.6 mt-30 -40.78 -38.63 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.691 ' O ' HD12 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -63.53 -51.63 64.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -48.04 -55.98 8.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -51.06 47.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.534 ' O ' HG22 ' A' ' 86' ' ' THR . 1.8 t80 -37.32 -39.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.753 HD22 ' HB3' ' A' ' 55' ' ' HIS . 4.6 mp -89.9 -47.46 7.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -48.61 39.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 83' ' ' TYR . 8.7 t -50.69 -31.25 15.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.372 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -89.56 -38.92 13.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -60.1 -48.46 81.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.623 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 86' ' ' THR . 9.1 mt -43.54 -62.21 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -79.59 -178.95 6.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 91' ' ' HIS . 0.6 OUTLIER -155.62 88.05 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.595 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -138.82 109.97 6.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.588 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -176.23 139.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.573 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 62.51 126.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.6 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 57.84 175.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.601 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.4 t60 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.642 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.518 0.199 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.469 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 1.4 mm-40 -99.19 -171.6 2.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.411 ' ND2' ' N ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER -103.84 101.65 11.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -113.03 136.04 53.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.712 ' O ' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER 56.48 167.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.3 m 80.17 -150.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 109.965 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -140.98 120.56 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.518 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.478 ' HB2' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER -119.74 127.07 52.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.412 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 9.7 t80 -84.18 115.75 22.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.563 ' CE1' ' HA3' ' A' ' 22' ' ' GLY . 40.3 p90 -120.72 115.74 23.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.629 1.206 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 55' ' ' HIS . 2.7 t -93.19 155.49 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.401 ' CD2' ' CD2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -149.79 121.34 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.528 HD23 ' C ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -93.7 144.18 25.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.02 170.64 7.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 108.328 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -52.49 -49.9 63.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.67 -25.95 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.37 33.77 5.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 m -81.8 176.3 9.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 0.0 110.014 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -142.96 106.71 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -119.11 129.7 55.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.96 130.85 8.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.382 1.051 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.563 ' HA3' ' CE1' ' A' ' 10' ' ' TYR . . . -114.51 160.47 13.17 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.52 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 18.1 p90 -110.51 96.0 5.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -166.94 171.48 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.409 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.712 HG21 ' O ' ' A' ' 5' ' ' LYS . 72.2 p -122.54 130.63 53.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.469 ' CG ' ' HB3' ' A' ' 2' ' ' GLU . 0.1 OUTLIER 73.97 68.05 0.27 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.313 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -12.43 21.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.44 -58.74 6.52 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 4.1 ptm180 -66.56 -34.3 77.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.403 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 51.0 ttt180 -65.53 -45.66 82.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 tp -53.32 -64.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 t -51.63 -36.84 47.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.4 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.87 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -44.48 -45.67 9.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.649 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -47.96 -62.97 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.22 -56.78 7.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.45 157.88 7.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.557 1.16 . . . . 0.0 111.045 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.0 m -157.88 -56.79 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 110.425 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -176.37 86.54 0.07 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -155.36 169.11 24.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 0.723 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' THR . 17.4 ttmt -120.61 140.76 51.07 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 66.39 -68.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 43' ' ' THR . 4.4 m -75.39 67.27 1.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.386 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.59 -57.64 2.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -109.02 32.33 5.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 109.364 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.77 113.13 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -103.19 -55.5 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.81 169.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.5 95.82 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 168.15 25.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.56 1.821 . . . . 0.0 111.039 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.7 m -141.78 110.49 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 pt -108.91 133.2 54.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.477 ' O ' HG23 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -78.7 134.0 37.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 111.051 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.854 ' O ' HD21 ' A' ' 84' ' ' LEU . 1.4 pp -152.65 41.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.47 ' CB ' ' HB ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER 174.16 101.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.641 1.213 . . . . 0.0 109.594 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.7 p -121.26 126.36 49.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -138.16 158.88 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -126.86 143.89 51.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 68' ' ' ALA . 17.6 m-85 -136.82 99.29 3.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.635 ' HG3' HG23 ' A' ' 61' ' ' THR . 2.8 pt-20 -68.44 -29.52 68.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.635 HG23 ' HG3' ' A' ' 60' ' ' GLU . 11.5 p -123.94 159.35 29.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.2 ptt-85 -70.39 -26.68 63.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.493 ' O ' HG22 ' A' ' 66' ' ' THR . 2.9 m -57.58 -57.28 13.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 109.968 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -60.35 -46.14 90.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.605 1.191 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -43.11 -65.52 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 63' ' ' SER . 8.0 t -58.86 -28.4 66.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.414 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -66.77 -59.18 3.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 59' ' ' PHE . . . -57.31 -30.85 65.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -57.27 5.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.99 -45.63 31.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.51 -56.14 13.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.529 ' CD2' ' HE2' ' A' ' 80' ' ' LYS . 3.6 t80 -50.55 -51.26 49.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -57.57 -23.54 51.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.23 -34.4 23.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.813 HD22 ' HB3' ' A' ' 79' ' ' GLN . 80.0 mt -69.6 153.89 42.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.851 HG23 ' H ' ' A' ' 78' ' ' LYS . 9.8 t -116.69 -165.53 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 110.401 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.449 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.0 OUTLIER -63.25 -12.1 26.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.581 1.176 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.851 ' H ' HG23 ' A' ' 76' ' ' THR . 7.7 mttt -90.94 -74.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.214 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.813 ' HB3' HD22 ' A' ' 75' ' ' LEU . 9.1 mp0 -39.98 -50.25 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.529 ' HE2' ' CD2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -54.23 -54.47 39.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -52.34 -26.45 12.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.664 ' O ' HG23 ' A' ' 86' ' ' THR . 0.1 OUTLIER -68.04 -46.23 71.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -58.21 -39.41 78.95 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.854 HD21 ' O ' ' A' ' 54' ' ' ILE . 3.5 mm? -58.43 -50.51 73.44 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 88' ' ' HIS . 0.1 OUTLIER -61.04 -62.94 1.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 82' ' ' GLN . 43.6 p -38.86 -33.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.39 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -83.75 -44.22 14.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' LYS . 7.7 t60 -56.55 -42.45 78.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.549 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 86.2 mt -51.29 -66.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.367 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.98 71.94 10.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.526 ' CD2' ' HB2' ' A' ' 93' ' ' HIS . 60.6 t60 -70.89 -63.25 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.593 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.0 t60 47.79 61.76 2.8 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.407 1.067 . . . . 0.0 109.615 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.526 ' HB2' ' CD2' ' A' ' 91' ' ' HIS . 2.2 t-80 -118.42 150.11 40.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 109.583 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -159.5 146.1 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.596 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -106.35 137.93 43.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.589 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.5 t60 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 0.0 109.584 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.542 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 26.2 mtt . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.4 0.143 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.428 ' HA ' ' CG ' ' A' ' 8' ' ' TYR . 2.6 mp0 -58.5 -169.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.607 1.192 . . . . 0.0 110.236 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.498 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 1.2 m-20 67.28 152.48 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 0.4 OUTLIER 85.51 178.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' LYS . 14.6 mttt -52.1 -176.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.422 1.076 . . . . 0.0 109.225 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 p 66.51 138.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -84.15 125.78 32.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.571 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.542 ' CZ ' ' O ' ' A' ' 1' ' ' MET . 11.7 m-85 -108.43 129.65 55.26 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.689 ' HE1' HG22 ' A' ' 11' ' ' VAL . 2.8 t80 -110.8 118.58 36.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.945 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.489 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 54.4 p90 -114.72 126.1 54.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.689 HG22 ' HE1' ' A' ' 9' ' ' PHE . 16.2 t -106.45 91.48 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.228 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.791 ' C ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -93.77 143.32 26.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.417 HD22 ' CD1' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -108.77 140.65 41.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.5 m -92.87 161.26 14.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.385 1.053 . . . . 0.0 108.311 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.94 -57.23 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.43 -42.19 61.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.09 42.64 0.51 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.28 116.58 29.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 0.78 . . . . 0.0 109.913 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CE1' ' HG3' ' A' ' 77' ' ' ARG . 12.5 m-85 -85.81 102.43 13.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -113.9 128.44 56.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.448 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . -116.59 136.46 12.82 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.61 123.59 3.58 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.594 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 44.7 p90 -106.87 104.01 13.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -167.39 -179.88 4.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 p -104.17 135.44 45.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.487 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.498 ' CG ' ' HA ' ' A' ' 3' ' ' ASN . 35.1 mt-10 58.92 63.99 3.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.405 1.065 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 26' ' ' GLU . 18.3 Cg_endo -75.0 -29.89 7.75 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.451 1.764 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -46.41 -49.86 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -74.41 -51.5 14.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -48.69 -46.59 40.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.236 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -60.29 4.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.1 m -44.36 -55.1 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.607 1.192 . . . . 0.0 110.353 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -42.07 -58.19 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -47.57 -59.44 3.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.584 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.76 -60.66 1.29 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.398 1.061 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 t -45.37 -57.25 4.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.056 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.5 -138.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.557 1.16 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.2 m 60.57 98.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.411 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.51 81.44 1.03 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.15 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.46 -59.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.399 0.705 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -126.6 131.86 51.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -60.16 102.86 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.9 t -169.0 119.41 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.347 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -97.36 -54.28 3.2 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -63.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.197 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.87 86.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.379 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.37 19.95 16.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 109.216 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -107.72 153.09 23.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 0.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.87 85.46 0.12 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.078 . . . . 0.0 110.338 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 161.27 38.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.551 1.817 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.411 HG12 HD23 ' A' ' 12' ' ' LEU . 33.6 m -128.4 123.12 59.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.417 ' CD1' HD22 ' A' ' 13' ' ' LEU . 3.1 pt -113.89 133.04 61.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.4 mtt -100.57 117.47 34.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.612 HD13 ' H ' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -115.57 7.04 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 1.047 ' CE1' HD13 ' A' ' 84' ' ' LEU . 62.2 m-70 -143.69 150.67 39.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.588 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 55' ' ' HIS . 9.7 p -158.42 98.74 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.357 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -114.5 141.23 47.98 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.459 1.1 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.502 ' HB3' ' CE1' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -138.98 108.91 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.364 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -133.8 150.25 51.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -103.72 -12.19 17.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.0 p -99.32 137.94 37.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.589 1.181 . . . . 0.0 110.351 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -75.33 -47.23 28.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.225 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.465 ' O ' HG22 ' A' ' 66' ' ' THR . 2.1 m -42.1 -42.45 2.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -54.43 8.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.97 -56.5 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 63' ' ' SER . 7.7 t -58.43 -40.69 83.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -47.28 83.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.12 -37.59 64.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -52.24 26.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.608 1.193 . . . . 0.0 110.265 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.55 -65.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.56 -51.86 44.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.49 ' CE1' HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -45.84 -52.18 11.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.48 -29.77 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -91.72 -43.14 9.75 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.395 1.059 . . . . 0.0 109.288 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 79' ' ' GLN . 65.7 mt -58.39 163.23 3.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.576 HG23 ' H ' ' A' ' 78' ' ' LYS . 3.6 t -133.26 -176.36 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.354 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.556 ' HG3' ' CE1' ' A' ' 19' ' ' PHE . 35.4 ttm180 -49.93 -19.52 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.576 ' H ' HG23 ' A' ' 76' ' ' THR . 0.1 OUTLIER -98.47 -74.09 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 109.343 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.535 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -33.75 -51.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -52.48 -61.08 2.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.229 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -36.08 -52.52 0.77 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.576 1.172 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.798 ' O ' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -72.94 -61.64 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.457 ' CD1' HD11 ' A' ' 75' ' ' LEU . 22.4 t80 -35.65 -44.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.047 HD13 ' CE1' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -82.9 -56.19 3.96 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 8.6 ttpp -43.25 -49.62 6.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.378 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 82' ' ' GLN . 37.8 p -43.24 -38.35 2.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 110.46 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -94.71 -44.77 7.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -47.22 -42.74 20.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 0.0 109.59 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.9 mp -61.95 -60.84 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.372 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -178.46 2.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -155.76 136.38 13.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.596 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -116.65 170.42 8.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.446 1.091 . . . . 0.0 109.557 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -78.16 138.89 38.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 109.511 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.444 ' CD2' ' CE ' ' A' ' 58' ' ' LYS . 22.1 p-80 -145.34 172.95 12.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.492 1.12 . . . . 0.0 109.559 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -104.42 116.43 32.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.605 1.191 . . . . 0.0 109.644 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.426 ' O ' ' NZ ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.653 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.549 0.214 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -159.31 77.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.25 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.495 ' HB2' ' CA ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -114.56 123.95 50.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -133.55 119.76 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.61 1.194 . . . . 0.0 109.348 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 6' ' ' SER . 11.5 mttt 72.86 152.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.2 p 85.75 -168.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.062 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -135.03 115.26 13.29 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.127 . . . . 0.0 109.634 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.455 ' CE1' ' HB3' ' A' ' 58' ' ' LYS . 1.3 m-85 -103.89 120.75 41.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.448 ' HB3' ' CB ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -82.59 99.12 9.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.696 ' CD1' HG22 ' A' ' 56' ' ' THR . 2.7 m-85 -112.79 101.38 9.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.622 ' O ' HG12 ' A' ' 11' ' ' VAL . 1.7 t -87.95 97.05 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.67 154.3 32.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 13' ' ' LEU . 1.2 tt -112.19 149.32 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.6 OUTLIER -114.35 158.39 21.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.586 1.179 . . . . 0.0 108.288 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -38.15 4.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.21 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.4 -39.32 78.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' CYS . . . 112.47 45.48 0.79 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 p -101.51 135.41 43.06 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.465 0.744 . . . . 0.0 109.967 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -90.84 100.73 13.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -89.11 91.66 8.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.071 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.35 106.62 2.03 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.504 1.128 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -114.63 125.05 6.63 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.555 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 23.7 p90 -109.15 94.6 5.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 0.735 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 25' ' ' THR . 0.7 OUTLIER -167.57 179.12 5.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.495 ' CA ' ' HB2' ' A' ' 3' ' ' ASN . 15.7 p -128.17 123.15 33.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' N ' ' HB2' ' A' ' 3' ' ' ASN . 1.9 tm-20 77.95 74.09 0.17 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -4.49 15.48 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.449 1.763 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -62.92 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -34.12 76.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -67.57 -44.11 79.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mt -58.43 -69.27 0.19 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.1 t -41.56 -39.96 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.56 -61.2 1.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.509 ' CD2' ' OG1' ' A' ' 38' ' ' THR . 0.3 OUTLIER -48.56 -56.33 8.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.645 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -46.01 -44.44 15.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.05 -50.11 44.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -84.06 -125.35 1.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.509 ' OG1' ' CD2' ' A' ' 34' ' ' HIS . 55.0 m 58.89 -87.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 0.0 110.355 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 40' ' ' ALA . . . 147.1 -152.99 25.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.597 1.186 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 39' ' ' GLY . . . 177.77 153.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -59.95 4.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -138.2 -50.21 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.0 p -94.16 121.83 36.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.77 19.47 6.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.608 1.192 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.8 25.26 4.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.5 88.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -110.94 -43.93 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -56.13 87.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -138.63 84.98 17.79 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 67.77 5.8 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 51' ' ' VAL . 32.0 m -79.22 102.21 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.361 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -106.91 155.21 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.27 143.67 26.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.0 pp -148.97 -46.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.965 ' ND1' HD13 ' A' ' 84' ' ' LEU . 15.6 m-70 -115.05 121.05 41.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.558 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.696 HG22 ' CD1' ' A' ' 10' ' ' TYR . 6.0 p -126.67 157.88 37.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 9' ' ' PHE . 2.0 tt0 -169.17 159.03 8.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -138.06 155.97 48.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -159.04 117.26 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.049 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.58 -0.99 57.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.333 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -123.9 143.27 50.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.389 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -50.06 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.693 ' O ' HG22 ' A' ' 66' ' ' THR . 19.6 m -42.96 -67.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.065 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.99 -51.54 40.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.0 -67.01 0.32 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 63' ' ' SER . 10.2 t -52.7 -30.78 34.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.45 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -48.13 70.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.51 -34.72 50.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.81 -60.87 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.7 -30.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.33 -50.63 8.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.559 ' CD2' ' HE2' ' A' ' 80' ' ' LYS . 20.5 t80 -48.55 -50.63 31.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.09 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.12 -23.98 16.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -92.4 -50.1 5.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.597 1.186 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.783 HD22 ' HB3' ' A' ' 79' ' ' GLN . 33.2 mt -52.06 171.17 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.793 HG23 ' H ' ' A' ' 78' ' ' LYS . 8.6 t -138.17 -171.7 3.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.444 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.5 OUTLIER -57.4 -15.29 6.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.34 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.793 ' H ' HG23 ' A' ' 76' ' ' THR . 1.2 tttm -95.18 -75.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.783 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -37.05 -61.03 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.182 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.559 ' HE2' ' CD2' ' A' ' 72' ' ' PHE . 36.0 mttt -42.01 -48.32 4.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.5 ' HA ' ' CE1' ' A' ' 55' ' ' HIS . 15.2 tt0 -47.86 -55.76 9.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 85' ' ' LYS . 3.2 mm-40 -71.92 -54.8 8.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 82' ' ' GLN . 2.5 t80 -35.71 -47.39 0.48 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 111.041 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.965 HD13 ' ND1' ' A' ' 55' ' ' HIS . 0.4 OUTLIER -75.41 -43.29 50.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.534 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -54.32 -56.8 14.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 82' ' ' GLN . 42.5 p -40.65 -28.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.382 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.426 ' N ' ' C ' ' A' ' 85' ' ' LYS . 75.1 t80 -98.44 -62.06 1.29 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 111.011 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -40.06 -44.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.383 1.052 . . . . 0.0 109.6 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 85' ' ' LYS . 6.1 mt -40.72 -61.16 0.99 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.89 104.43 4.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -118.23 -62.85 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.669 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.1 m170 66.07 112.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 0.0 109.566 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -46.95 167.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.554 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.0 t60 51.11 96.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.581 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -90.45 173.0 8.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.567 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.509 0.195 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -158.2 106.59 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.433 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 7.2 m-80 59.25 108.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -172.29 130.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 6' ' ' SER . 8.2 pttt -53.14 165.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.466 ' O ' ' CG2' ' A' ' 25' ' ' THR . 0.7 OUTLIER 79.51 -165.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 109.988 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.438 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 2.1 m-70 -117.26 128.74 55.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.601 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.519 ' CZ ' ' HG2' ' A' ' 58' ' ' LYS . 2.6 m-85 -109.05 117.72 34.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -92.94 126.66 38.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 27' ' ' PRO . 15.2 p90 -137.77 174.43 10.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.919 HG12 HD11 ' A' ' 54' ' ' ILE . 24.9 t -139.66 127.73 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.521 HD23 HG11 ' A' ' 51' ' ' VAL . 1.9 mp -98.8 139.76 33.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.21 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.775 HD22 HG12 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -127.05 134.96 50.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.4 m -106.63 167.1 10.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -51.41 -34.08 33.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.63 -44.18 87.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.379 1.05 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.13 42.86 0.75 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.425 1.078 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.94 118.01 35.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 0.747 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -98.75 122.02 41.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.47 112.45 15.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.595 1.185 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.22 147.61 21.73 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.57 143.8 9.06 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -116.72 109.69 17.48 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.533 0.784 . . . . 0.0 110.978 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.441 HG23 ' N ' ' A' ' 25' ' ' THR . 0.7 OUTLIER -165.93 -179.8 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.356 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 6' ' ' SER . 46.9 p -117.76 120.6 38.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 110.309 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CG ' ' HA ' ' A' ' 3' ' ' ASN . 1.0 OUTLIER 76.99 72.38 0.2 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 110.233 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 10' ' ' TYR . 18.1 Cg_endo -75.03 -0.73 10.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.502 1.791 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.6 -59.63 2.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 110.36 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 10.9 ptm180 -63.79 -37.24 86.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 1.178 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -69.8 -36.86 76.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 27' ' ' PRO . 12.7 tp -68.6 -64.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 t -45.51 -38.23 6.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.436 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -44.89 -51.21 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -65.71 -49.49 68.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.608 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -56.46 -21.25 24.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 t -109.0 22.45 15.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.175 . . . . 0.0 109.999 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.23 132.35 2.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.558 1.161 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 m -146.11 85.38 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.737 . . . . 0.0 110.39 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.23 55.05 17.19 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.461 1.101 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.98 172.73 15.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 0.772 . . . . 0.0 109.368 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -67.6 162.72 22.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -84.28 160.2 20.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.045 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.3 p -140.98 129.1 22.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 110.421 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -95.37 -19.51 19.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -34.61 62.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 42.55 84.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -54.78 43.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 54.24 98.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.357 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.52 152.71 47.39 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 152.45 41.14 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.444 1.76 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.521 HG11 HD23 ' A' ' 12' ' ' LEU . 21.1 m -136.51 130.25 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.775 HG12 HD22 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -123.4 161.03 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.392 1.057 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 mtm -101.03 126.04 47.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.919 HD11 HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -122.39 -40.04 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.6 ' ND1' HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -107.33 120.85 43.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.568 1.168 . . . . 0.0 109.537 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 p -128.84 148.02 50.85 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.441 1.088 . . . . 0.0 110.396 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.485 ' OE2' ' CE1' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -167.71 132.86 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.519 ' HG2' ' CZ ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -113.85 152.15 31.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 109.393 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.659 ' CZ ' ' CB ' ' A' ' 68' ' ' ALA . 48.5 m-85 -149.45 113.31 5.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -71.18 -46.47 61.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.647 1.217 . . . . 0.0 110.297 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.6 p -100.23 161.52 13.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -79.19 -34.22 43.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 m -52.85 -57.07 11.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.96 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.55 -23.69 66.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 110.242 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.46 -69.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.3 t -49.46 -24.4 2.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -75.34 -45.87 36.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.659 ' CB ' ' CZ ' ' A' ' 59' ' ' PHE . . . -66.9 -31.89 72.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -69.88 -49.93 47.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.83 -43.67 63.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.74 -55.58 18.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -54.24 -25.8 25.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -80.79 -16.03 54.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -6.2 28.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.6 mt -90.42 160.36 16.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.513 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 2.1 t -131.59 -176.36 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.429 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.513 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.0 OUTLIER -50.68 -19.3 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.493 ' H ' HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -84.37 -75.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -42.84 -38.41 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.262 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.475 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -66.62 -58.54 4.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.402 1.063 . . . . 0.0 109.345 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.93 -17.15 21.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.231 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -76.26 -39.47 54.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.394 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.802 ' HD1' HD22 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -73.11 -25.45 60.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.548 1.155 . . . . 0.0 111.046 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.802 HD22 ' HD1' ' A' ' 83' ' ' TYR . 4.5 mm? -70.1 -49.99 45.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -65.61 -58.86 4.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 83' ' ' TYR . 2.0 t -50.26 -23.19 2.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 110.427 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.434 ' CB ' ' O ' ' A' ' 83' ' ' TYR . 32.1 t80 -89.75 -35.52 15.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -49.11 46.94 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 0.0 109.585 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.2 mt -47.68 -58.21 4.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -149.65 140.48 22.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -112.2 -62.85 1.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.578 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 63.89 78.34 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.501 1.126 . . . . 0.0 109.594 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.53 138.47 58.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.637 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -121.89 120.3 34.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.629 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -75.05 115.23 14.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.594 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.605 1.191 . . . . 0.0 109.606 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttt . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 120.489 0.185 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -140.08 179.25 6.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 5' ' ' LYS . 1.1 m120 66.09 -169.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.241 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.76 95.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 3' ' ' ASN . 0.1 OUTLIER -179.87 97.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.73 171.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -97.42 119.34 35.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.478 1.112 . . . . 0.0 109.526 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 58' ' ' LYS . 7.9 m-85 -105.71 103.44 12.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.427 ' HE1' HG22 ' A' ' 11' ' ' VAL . 2.3 t80 -85.23 110.14 18.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.728 ' CZ ' HG22 ' A' ' 56' ' ' THR . 2.2 m-30 -117.71 122.15 42.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.078 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.427 HG22 ' HE1' ' A' ' 9' ' ' PHE . 5.2 t -89.97 104.59 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -81.05 150.04 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -131.6 113.02 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.521 ' O ' HD12 ' A' ' 13' ' ' LEU . 1.6 m -72.08 178.82 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.77 -56.9 4.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 110.389 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.3 -36.76 53.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.25 60.02 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.68 112.43 24.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.975 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -84.88 100.98 11.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.55 101.04 5.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.37 148.15 18.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 111.077 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -158.1 157.64 28.45 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 35.7 p90 -104.95 129.36 53.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.485 HG23 ' N ' ' A' ' 25' ' ' THR . 0.6 OUTLIER -167.4 -179.79 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.437 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.485 ' N ' HG23 ' A' ' 24' ' ' THR . 8.9 p -118.75 129.22 55.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.412 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' OE1' ' NE ' ' A' ' 29' ' ' ARG . 0.7 OUTLIER 74.94 69.86 0.23 Allowed Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.578 1.173 . . . . 0.0 110.304 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -0.6 10.18 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.436 1.756 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.55 -63.9 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.435 ' C ' HG22 ' A' ' 32' ' ' THR . 12.0 ptp180 -61.55 -26.77 68.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 33' ' ' GLU . 2.4 ttp180 -68.53 -62.21 1.49 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.482 HD11 HG21 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -41.42 -59.0 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.435 HG22 ' C ' ' A' ' 29' ' ' ARG . 4.8 t -52.36 -37.8 57.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 30' ' ' ARG . 1.3 tt0 -64.09 -66.04 0.6 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 1.178 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -42.31 -63.57 0.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.656 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -44.73 -58.73 2.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 t -49.92 -56.12 11.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.8 129.14 2.59 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.447 1.092 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.1 t -74.56 148.61 40.69 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 0.74 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.06 -134.68 12.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.97 104.15 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 0.724 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.1 149.17 4.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 54.82 173.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.449 HG22 ' H ' ' A' ' 46' ' ' ALA . 51.3 m -79.65 99.28 7.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.67 -55.37 4.41 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 1.142 . . . . 0.0 110.325 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -42.84 -63.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.449 ' H ' HG22 ' A' ' 43' ' ' THR . . . -41.7 124.05 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.373 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -97.07 -58.45 2.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 60.48 155.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 60.12 82.82 0.22 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 98.25 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.446 1.761 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.482 HG21 HD11 ' A' ' 31' ' ' LEU . 6.1 m -76.88 136.88 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.49 HD11 HD23 ' A' ' 13' ' ' LEU . 8.4 pt -122.8 151.11 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.13 136.85 32.79 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.782 HD12 ' CD2' ' A' ' 55' ' ' HIS . 0.6 OUTLIER -140.44 -47.14 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.782 ' CD2' HD12 ' A' ' 54' ' ' ILE . 88.5 m-70 -107.91 153.17 23.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.728 HG22 ' CZ ' ' A' ' 10' ' ' TYR . 7.4 p -158.05 107.6 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.433 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.35 139.62 50.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.57 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 1.7 tttt -130.88 119.54 22.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 65' ' ' ALA . 7.7 p90 -145.81 119.4 9.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -88.54 -23.72 23.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.363 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.9 p -97.35 140.95 31.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.462 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.459 ' HA ' ' HB3' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -65.97 -38.54 88.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.62 -44.41 47.32 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.597 1.186 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.72 -30.33 40.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.36 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.492 ' HB2' ' CD1' ' A' ' 59' ' ' PHE . . . -66.91 -54.74 19.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 t -59.77 -38.4 81.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -54.18 49.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.21 -42.84 31.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -67.91 -55.08 14.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.83 -50.53 14.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.56 -46.16 89.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.508 ' CG ' ' HE2' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -56.36 -16.73 6.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 111.06 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -81.61 -34.57 30.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.156 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -94.58 24.29 4.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.596 HD22 ' HB3' ' A' ' 79' ' ' GLN . 22.2 mt -134.04 168.9 17.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -133.87 178.03 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.499 ' N ' ' OG1' ' A' ' 76' ' ' THR . 15.1 ptt180 -48.51 -19.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -95.92 -73.01 0.61 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.596 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -37.99 -38.46 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.707 ' O ' HD12 ' A' ' 84' ' ' LEU . 16.5 mttt -63.06 -53.68 49.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' LYS . 1.2 tp10 -47.54 -51.26 21.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.065 . . . . 0.0 110.336 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -70.45 -49.07 52.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 83' ' ' TYR . 1.1 t80 -41.83 -51.37 4.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.765 HD22 ' CG ' ' A' ' 55' ' ' HIS . 5.1 mp -75.23 -26.45 58.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' GLN . 19.3 tttt -57.97 -57.96 10.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -46.34 -34.37 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -80.81 -37.11 30.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -12.49 61.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.599 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -73.56 -46.93 44.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -137.4 106.43 5.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.219 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -57.53 151.23 17.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.538 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 40.5 m170 58.73 170.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.594 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -149.92 -60.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.66 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -69.5 150.46 47.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.426 1.079 . . . . 0.0 109.626 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -117.9 -62.73 1.51 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.588 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 109.579 -179.934 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.597 ' O ' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.459 0.171 . . . . 0.0 111.001 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -137.03 174.22 10.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 110.343 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.477 ' CB ' ' HG2' ' A' ' 26' ' ' GLU . 0.9 OUTLIER 71.02 176.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 5' ' ' LYS . 2.1 tptm 67.19 142.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -39.25 115.48 0.5 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER 160.78 126.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -82.34 98.8 9.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.586 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.597 ' CE1' ' O ' ' A' ' 1' ' ' MET . 35.4 m-85 -93.21 112.59 24.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -87.38 117.78 26.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -126.93 138.97 53.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.1 t -109.8 138.52 37.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.776 HD22 ' HB ' ' A' ' 51' ' ' VAL . 97.2 mt -114.31 127.03 55.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.04 HD23 HD11 ' A' ' 52' ' ' ILE . 0.3 OUTLIER -110.68 120.44 42.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.573 ' O ' HD12 ' A' ' 13' ' ' LEU . 27.5 m -97.68 -159.86 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 108.274 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -95.44 -19.6 19.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.173 . . . . 0.0 110.316 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -100.01 35.58 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 45.19 54.6 7.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.592 1.182 . . . . 0.0 111.041 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.1 m -107.73 100.6 9.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.047 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -88.86 117.11 27.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.3 92.22 3.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.77 128.59 9.55 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.03 144.18 9.81 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.502 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 51.5 p90 -108.37 126.85 53.33 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.491 0.759 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -167.23 169.99 12.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.408 1.068 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.5 p -98.37 142.06 30.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 3' ' ' ASN . 48.4 mt-10 52.79 72.06 1.27 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.203 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 -35.07 3.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -43.1 -49.56 6.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -70.8 -53.95 13.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.42 -40.67 37.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.36 -58.21 9.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.406 1.067 . . . . 0.0 109.276 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' GLU . 20.2 m -42.61 -57.24 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.409 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -38.74 -56.67 1.31 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 110.348 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.557 ' CD2' ' C ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -46.22 -65.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.463 ' N ' ' CG ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -53.54 -22.0 7.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.069 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -100.19 26.06 6.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.064 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.0 150.04 8.92 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.425 1.078 . . . . 0.0 111.103 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.7 m -149.05 -59.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 110.397 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.02 111.54 0.56 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 66.25 107.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 0.79 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.27 152.64 0.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.072 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -157.45 162.67 38.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.6 m 56.34 86.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.461 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.97 -39.72 10.97 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.092 . . . . 0.0 110.19 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.47 -66.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.71 73.66 1.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 109.242 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -40.73 -63.17 0.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -69.15 125.06 25.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.242 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.5 ' HG3' HG13 ' A' ' 51' ' ' VAL . 11.2 ptp180 -122.81 120.32 27.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 110.203 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 93.48 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.565 1.824 . . . . 0.0 111.009 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.776 ' HB ' HD22 ' A' ' 12' ' ' LEU . 34.4 m -79.3 114.92 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 1.04 HD11 HD23 ' A' ' 13' ' ' LEU . 4.2 pt -109.63 147.02 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.242 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -93.1 113.94 26.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.954 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.4 HD13 ' CD2' ' A' ' 55' ' ' HIS . 1.4 pp -120.59 5.31 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 1.178 ' CE1' HD13 ' A' ' 84' ' ' LEU . 64.0 m-70 -141.32 155.45 45.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.584 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 55' ' ' HIS . 13.3 p -157.88 110.9 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.445 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -135.37 150.08 49.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 2.2 ttpp -139.19 124.47 19.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.466 ' CZ ' ' HG2' ' A' ' 57' ' ' GLU . 30.8 m-85 -125.33 131.5 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -111.24 -27.79 8.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.38 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.9 p -93.03 144.52 25.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -36.0 69.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.268 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 66' ' ' THR . 39.5 m -54.39 -48.08 71.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.968 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -69.18 -44.56 71.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.4 -61.98 1.56 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 63' ' ' SER . 9.0 t -57.75 -30.82 65.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.471 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -43.73 86.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.405 1.065 . . . . 0.0 109.222 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.93 -38.39 72.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -60.29 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.222 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.26 -43.08 10.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.474 ' HA ' ' CD ' ' A' ' 74' ' ' LYS . . . -66.62 -47.61 72.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.67 -21.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -90.92 -29.46 17.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.474 ' CD ' ' HA ' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -94.79 23.54 5.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.247 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 79' ' ' GLN . 31.2 mt -138.76 168.97 18.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.62 1.2 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.704 HG23 ' H ' ' A' ' 78' ' ' LYS . 3.9 t -145.48 179.7 7.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -38.98 -27.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.704 ' H ' HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -96.62 -74.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.618 1.199 . . . . 0.0 109.328 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.47 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.9 OUTLIER -33.58 -37.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 1.099 . . . . 0.0 110.348 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.631 ' O ' HD12 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -66.85 -64.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -37.35 -34.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 110.215 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -82.98 -50.75 8.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 83' ' ' TYR . 1.1 t80 -40.03 -35.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.178 HD13 ' CE1' ' A' ' 55' ' ' HIS . 3.9 mp -87.99 -38.43 15.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 82' ' ' GLN . 0.4 OUTLIER -55.13 -57.95 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.418 ' HA ' HD12 ' A' ' 89' ' ' LEU . 9.2 t -46.45 -33.31 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.461 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -83.62 -44.79 14.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -61.19 -45.37 94.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.61 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 86' ' ' THR . 14.0 mt -47.86 -64.43 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -45.97 153.13 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -174.32 149.15 1.33 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 0.0 109.559 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 69.5 104.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.68 -62.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 109.599 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.91 87.5 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.558 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -161.49 160.66 29.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.651 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.614 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.507 ' HA ' ' CZ ' ' A' ' 8' ' ' TYR . 7.8 mtt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.428 0.156 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 3' ' ' ASN . 1.0 OUTLIER 65.51 175.99 0.21 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.518 ' HB3' ' CB ' ' A' ' 26' ' ' GLU . 1.1 p30 -58.86 -153.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.501 ' N ' ' CG ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER 67.53 66.09 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt 67.92 149.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m 77.64 96.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.57 1.169 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -82.51 130.92 35.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.629 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.571 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 10.3 m-85 -108.86 133.36 52.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -103.52 118.81 37.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 111.036 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -120.24 137.35 54.27 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.02 91.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.94 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.29 144.66 31.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.693 ' N ' HD22 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -113.3 139.12 49.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -94.34 162.49 13.81 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 108.281 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -56.26 -48.55 76.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.372 1.045 . . . . 0.0 110.211 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -28.18 46.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.26 49.2 1.07 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.43 1.082 . . . . 0.0 110.948 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.29 115.48 30.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -86.63 104.66 16.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.998 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -135.38 147.31 49.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.8 170.48 42.37 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.14 163.76 32.1 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.619 ' CG ' ' HB1' ' A' ' 65' ' ' ALA . 19.4 p90 -103.18 134.21 46.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 0.786 . . . . 0.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -167.45 -179.9 4.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.28 130.96 56.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.623 1.202 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.518 ' CB ' ' HB3' ' A' ' 3' ' ' ASN . 0.0 OUTLIER 71.33 68.08 0.36 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -28.09 9.37 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.432 1.753 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.49 -48.53 74.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.587 1.18 . . . . 0.0 110.244 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -49.29 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.209 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -34.59 60.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.169 . . . . 0.0 110.243 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.4 tp -72.72 -61.87 1.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -47.99 -55.03 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.427 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.79 -60.81 1.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.375 1.047 . . . . 0.0 110.325 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -43.45 -56.07 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.601 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.94 -52.38 50.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.89 42.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 110.046 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -93.07 -120.37 2.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.4 t -64.33 164.73 10.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -145.71 94.04 0.16 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.27 -50.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.795 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -174.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.461 ' HB3' ' CD1' ' A' ' 45' ' ' LEU . 72.3 m-85 -54.91 -170.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 111.066 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER 175.12 -34.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -20.09 31.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.733 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -112.52 -14.33 13.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.461 ' N ' HD13 ' A' ' 45' ' ' LEU . . . 46.31 93.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.07 . . . . 0.0 109.402 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -59.06 -63.81 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.24 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 61.45 119.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.38 1.05 . . . . 0.0 110.33 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.6 134.63 22.62 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 0.0 110.246 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 146.72 33.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.854 ' HB ' HD23 ' A' ' 12' ' ' LEU . 5.1 m -129.18 110.14 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.579 HG12 HD22 ' A' ' 13' ' ' LEU . 7.4 pt -108.27 141.12 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.5 mtt -108.24 115.76 30.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.667 HD11 ' CD2' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -105.39 -13.64 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.92 ' CE1' HD13 ' A' ' 84' ' ' LEU . 98.4 m-70 -118.94 153.65 34.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 55' ' ' HIS . 5.6 p -159.04 109.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.442 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -128.4 153.21 47.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 8' ' ' TYR . 3.5 mtmt -127.1 128.71 46.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.585 1.178 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -127.08 123.08 36.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.583 ' HG3' HG23 ' A' ' 61' ' ' THR . 4.6 pt-20 -87.79 -12.14 45.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.08 . . . . 0.0 110.299 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.583 HG23 ' HG3' ' A' ' 60' ' ' GLU . 77.1 p -125.92 165.07 19.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 110.425 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -85.37 -44.21 12.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.575 1.172 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 m -43.35 -48.4 6.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.052 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -51.59 64.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.63 1.206 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.619 ' HB1' ' CG ' ' A' ' 23' ' ' TYR . . . -47.41 -59.62 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.4 t -61.37 -38.86 88.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -54.96 -49.87 70.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.56 -44.11 72.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -55.48 -55.84 27.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.24 -62.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.5 -53.04 62.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.519 ' CG ' ' HE2' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -43.64 -51.82 6.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.934 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -48.13 -38.27 17.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.586 1.179 . . . . 0.0 109.356 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -28.14 36.39 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.66 HD22 ' HB3' ' A' ' 79' ' ' GLN . 35.7 mt -79.97 152.36 29.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.856 HG23 ' H ' ' A' ' 78' ' ' LYS . 8.9 t -114.13 -169.06 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.319 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.43 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.4 OUTLIER -61.61 -11.9 13.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.856 ' H ' HG23 ' A' ' 76' ' ' THR . 8.3 mmtt -100.11 -75.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.66 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -34.77 -42.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.274 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.559 ' O ' HD12 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -63.78 -63.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 80' ' ' LYS . 3.5 tp10 -38.29 -53.15 1.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 110.352 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' LYS . 7.7 mm-40 -69.91 -55.85 8.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.615 ' O ' HG22 ' A' ' 86' ' ' THR . 2.9 t80 -35.42 -53.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.92 HD13 ' CE1' ' A' ' 55' ' ' HIS . 2.3 mp -68.86 -42.73 76.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.371 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 82' ' ' GLN . 0.2 OUTLIER -50.25 -50.1 51.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 83' ' ' TYR . 0.8 OUTLIER -43.7 -38.1 2.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -85.63 -27.47 25.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LYS . 4.8 t60 -63.82 -36.88 85.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 89' ' ' LEU . 3.8 mm? -44.6 -63.29 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.11 173.12 8.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -145.21 74.87 1.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.567 1.167 . . . . 0.0 109.633 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.477 ' CE1' ' O ' ' A' ' 93' ' ' HIS . 16.2 t-80 -79.17 152.13 30.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.406 1.066 . . . . 0.0 109.569 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.477 ' O ' ' CE1' ' A' ' 92' ' ' HIS . 1.7 t-160 -116.67 172.13 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.24 125.71 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.524 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -98.0 -61.14 1.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.594 1.183 . . . . 0.0 109.608 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.665 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtm . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.487 0.184 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 179.37 105.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.601 1.188 . . . . 0.0 110.267 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.478 ' CB ' ' HB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -136.32 102.12 4.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -122.7 44.22 2.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.88 145.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.559 ' O ' HG21 ' A' ' 25' ' ' THR . 15.9 p 64.94 -157.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -128.47 128.53 44.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 109.589 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 58' ' ' LYS . 9.2 m-85 -119.92 127.17 52.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 111.057 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -86.76 122.04 30.1 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.615 1.197 . . . . 0.0 111.06 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.421 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 8.7 p90 -124.15 149.84 45.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 11' ' ' VAL . 20.4 t -110.86 91.3 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.652 HD22 ' HB ' ' A' ' 51' ' ' VAL . 42.2 mt -76.65 122.21 24.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.61 HD23 ' C ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -109.98 138.3 46.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.47 -178.93 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 1.06 . . . . 0.0 108.323 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -62.11 -31.31 71.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -61.52 -16.71 50.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.49 32.07 55.55 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 m -100.12 146.61 26.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 110.035 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -99.13 107.43 19.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -95.2 104.43 16.32 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.19 109.03 3.25 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -120.21 162.91 14.09 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.54 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 29.9 p90 -135.37 99.76 4.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.575 0.809 . . . . 0.0 111.019 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.617 HG23 ' N ' ' A' ' 25' ' ' THR . 0.5 OUTLIER -166.58 179.93 5.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.617 ' N ' HG23 ' A' ' 24' ' ' THR . 28.1 p -135.13 129.36 33.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.404 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 3' ' ' ASN . 0.7 OUTLIER 77.75 71.61 0.19 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -19.81 17.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.444 1.76 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' O ' HG22 ' A' ' 32' ' ' THR . 10.6 mt-10 -51.85 -56.53 13.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.586 1.179 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.47 ' HA ' ' CG2' ' A' ' 32' ' ' THR . 5.9 ptt180 -76.0 -25.12 55.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -70.17 -39.71 75.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.32 -62.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 29' ' ' ARG . 2.4 t -48.57 -33.37 9.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.463 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -44.08 -64.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 38' ' ' THR . 17.0 p80 -77.13 -48.38 17.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.608 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -43.69 -59.08 2.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -51.11 -48.56 61.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.53 -89.16 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.592 1.183 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 38' ' ' THR . 12.8 t -108.52 112.37 24.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 0.798 . . . . 0.0 110.468 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.47 -134.89 7.63 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.95 107.18 17.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 0.739 . . . . 0.0 109.355 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 42' ' ' TYR . 1.8 tttt -45.17 167.85 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.627 1.204 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.43 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER 68.97 -59.12 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 111.002 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.5 p -137.83 90.57 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -100.9 -13.71 18.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.82 ' O ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -99.99 -6.25 26.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' N ' HD13 ' A' ' 45' ' ' LEU . . . -72.75 164.91 25.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.09 -44.47 15.57 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.08 147.2 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.61 1.194 . . . . 0.0 110.302 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.79 138.05 12.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.27 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 168.81 23.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.652 ' HB ' HD22 ' A' ' 12' ' ' LEU . 5.3 m -140.5 86.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -104.12 147.67 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.41 ' O ' ' HG2' ' A' ' 53' ' ' MET . 0.0 OUTLIER -120.42 130.74 54.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.537 HD13 ' H ' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -119.81 -8.94 11.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.602 ' NE2' ' CG ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -115.5 97.46 6.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.575 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 p -100.49 123.06 44.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 110.432 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.28 148.82 42.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -128.79 155.36 45.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 68' ' ' ALA . 43.7 m-85 -165.48 134.23 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -107.4 -19.2 13.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.546 1.153 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.3 p -108.49 145.27 34.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.078 . . . . 0.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.0 -43.32 65.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.249 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -51.27 -37.26 46.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.6 1.187 . . . . 0.0 110.027 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -82.63 -47.26 12.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.365 1.041 . . . . 0.0 110.358 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.71 -43.66 72.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.46 1.1 . . . . 0.0 109.233 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 t -71.52 -42.63 67.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.5 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.95 -55.3 36.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.363 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.602 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . . . -49.9 -41.92 46.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -54.44 46.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.36 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.17 -51.51 24.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.99 -53.65 54.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.393 1.058 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.497 ' C ' ' CD1' ' A' ' 72' ' ' PHE . 1.3 t80 -58.42 -16.86 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -86.0 -19.77 29.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.226 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -93.6 -36.08 12.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.821 HD22 ' HG2' ' A' ' 79' ' ' GLN . 76.4 mt -61.56 166.44 4.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.737 HG23 ' H ' ' A' ' 78' ' ' LYS . 7.9 t -136.59 -171.38 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.455 ' N ' ' OG1' ' A' ' 76' ' ' THR . 4.0 ptt180 -53.8 -18.52 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.737 ' H ' HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -84.55 -75.27 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.821 ' HG2' HD22 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -42.34 -52.99 4.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 110.204 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -54.13 -49.72 68.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.601 1.188 . . . . 0.0 109.407 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -59.53 -20.71 57.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -71.99 -43.85 64.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.211 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.602 ' CG ' ' NE2' ' A' ' 55' ' ' HIS . 0.8 OUTLIER -64.23 -35.49 80.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.958 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 54' ' ' ILE . 2.0 mm? -60.25 -52.97 63.04 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.91 -65.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.442 HG22 ' HA ' ' A' ' 83' ' ' TYR . 1.0 OUTLIER -39.65 -33.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.43 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.436 ' CB ' ' O ' ' A' ' 83' ' ' TYR . 34.6 t80 -84.23 -49.51 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.376 1.048 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.0 -32.56 2.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.576 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.53 -60.68 2.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 90' ' ' GLU . 4.6 pt-20 -100.51 106.89 18.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -131.49 85.09 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 109.601 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -172.43 80.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.552 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.71 72.41 0.88 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.502 1.126 . . . . 0.0 109.69 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 94' ' ' HIS . 1.5 p80 -81.85 61.34 5.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.612 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.96 72.93 1.4 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.528 1.143 . . . . 0.0 109.615 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.064 . . . . 0.0 109.622 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 mtm . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.434 0.159 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.437 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 3.7 mm-40 -45.67 164.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.435 ' CB ' ' HB ' ' A' ' 25' ' ' THR . 0.6 OUTLIER -104.91 122.93 46.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 2.0 ttpt -140.99 33.95 1.75 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.411 1.069 . . . . 0.0 109.376 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' O ' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER -161.08 157.7 26.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.497 ' O ' ' CG2' ' A' ' 25' ' ' THR . 7.4 m 54.81 -167.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.05 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -130.43 112.72 13.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.594 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.519 ' CE2' ' HB3' ' A' ' 58' ' ' LYS . 10.1 m-85 -91.15 128.24 36.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 9.7 t80 -91.54 116.05 28.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.541 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 36.5 p90 -131.16 124.57 30.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 t -96.49 138.74 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.524 ' HA ' HD13 ' A' ' 12' ' ' LEU . 1.7 mm? -111.11 146.9 36.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.552 HD22 HG12 ' A' ' 52' ' ' ILE . 2.3 tt -116.17 147.25 41.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 109.243 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.4 m -115.16 -178.8 3.46 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.081 . . . . 0.0 108.195 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -58.07 -64.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -48.49 -29.51 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.227 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.45 35.36 3.35 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.98 162.13 27.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -121.82 122.47 39.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -151.21 103.39 3.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.18 168.42 12.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.55 168.61 29.16 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.541 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 38.8 p90 -119.99 107.58 13.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 25' ' ' THR . 0.7 OUTLIER -166.18 179.2 5.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.432 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 6' ' ' SER . 13.7 p -124.72 128.06 48.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' CG ' ' HB3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER 77.75 70.97 0.19 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -30.44 7.1 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.479 1.779 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -44.32 -47.7 9.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.407 ' O ' HG22 ' A' ' 32' ' ' THR . 8.8 mtp180 -71.28 -54.31 11.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -50.66 -40.03 52.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.58 1.175 . . . . 0.0 110.273 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.24 -61.33 2.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 29' ' ' ARG . 3.3 t -63.07 -23.31 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.408 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.55 -21.89 65.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.86 -23.52 16.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.552 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -91.87 15.69 12.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 t -85.78 -54.18 4.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.948 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.0 68.67 0.03 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.402 1.064 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.0 p -102.94 128.4 49.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 110.366 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.42 170.05 24.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -170.25 147.68 3.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.576 0.809 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.546 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -105.6 -16.22 14.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 41' ' ' LYS . 1.4 m-85 174.35 72.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.6 m -161.1 -57.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -88.64 13.87 11.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -41.88 -62.53 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.406 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.31 137.68 10.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -60.83 -70.8 0.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.382 1.052 . . . . 0.0 109.295 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? 57.75 38.3 27.38 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.416 1.072 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.4 OUTLIER -73.19 -53.04 5.07 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.24 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.3 Cg_endo -74.93 118.05 5.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.446 1.761 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.467 ' HB ' HD12 ' A' ' 12' ' ' LEU . 18.8 m -140.07 118.35 10.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.552 HG12 HD22 ' A' ' 13' ' ' LEU . 4.8 pt -110.74 154.46 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.6 mtt -99.91 109.51 21.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.58 HD13 ' H ' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -106.72 -13.01 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 1.163 ' CE1' HD13 ' A' ' 84' ' ' LEU . 67.4 m-70 -126.95 152.31 47.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 55' ' ' HIS . 10.3 p -158.09 113.07 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -146.49 157.87 43.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.077 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.88 133.55 37.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 9' ' ' PHE . 10.6 m-85 -128.38 118.79 23.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -76.12 -36.75 58.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 77.8 p -101.27 156.89 17.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.377 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -39.62 18.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 m -46.35 -44.71 17.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.972 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -75.42 -36.79 60.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.26 -53.05 62.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.224 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 t -64.47 -31.03 72.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.421 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -69.79 -39.47 76.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.02 -29.63 70.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.35 -52.0 15.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 110.24 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.41 -44.43 17.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' LYS . . . -64.26 -51.8 61.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.08 -25.47 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -73.98 -38.71 64.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' ALA . 40.3 mtmt -81.15 -44.46 17.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.535 ' CD1' ' CD2' ' A' ' 83' ' ' TYR . 62.1 mt -54.25 163.94 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -130.08 179.39 5.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 110.457 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.532 ' N ' ' OG1' ' A' ' 76' ' ' THR . 0.2 OUTLIER -47.11 -20.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.437 ' N ' ' C ' ' A' ' 76' ' ' THR . 19.6 tttt -97.23 -73.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.521 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -37.53 -33.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -68.98 -67.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.34 -42.5 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -78.09 -55.8 4.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.535 ' CD2' ' CD1' ' A' ' 75' ' ' LEU . 1.2 t80 -37.2 -37.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.163 HD13 ' CE1' ' A' ' 55' ' ' HIS . 1.8 mp -88.69 -55.54 3.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -46.69 -50.86 17.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -42.62 -29.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -98.84 -47.41 5.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -55.77 -45.19 78.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.538 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -41.22 -68.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.94 133.4 38.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 -153.07 128.96 10.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.622 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -154.4 154.43 33.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.579 1.175 . . . . 0.0 109.626 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.49 141.25 36.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 1.175 . . . . 0.0 109.581 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -151.71 162.65 40.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.593 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -159.71 87.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.56 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.574 179.945 . . . . . . . . 1 1 . 1 stop_ save_